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109-57-9

109-57-9 structure
109-57-9 structure
  • Name: allylthiourea
  • Chemical Name: Allylthiourea
  • CAS Number: 109-57-9
  • Molecular Formula: C4H8N2S
  • Molecular Weight: 116.185
  • Catalog: Chemical reagent Organic reagent Thiourea
  • Create Date: 2018-04-22 08:00:00
  • Modify Date: 2024-01-02 19:46:28
  • Allylthiourea is a metabolic inhibitor that selective inhibits ammonia oxidation.Target: OthersAllylthiourea selectively inhibits ammonia oxidation at concentrations 8-80 μM. Allylthiourea (1 μM)inhibits ammonia oxidation by 80%. Complete inhibition is observed at an Allylthiourea concentration of 86 μM [1]. The inhibition of Allylthiourea on ammonia oxidation probably acts through chelating the copper of the ammonia monooxygenase active site. Allylthiourea is able to produce soluble methane monooxygenase (sMMO) in the presence of copper. Addition of 25 μM Allylthiourea decreases intracellular copper by 48% in Methylosinus trichosporium OB3b, allowing sMMO production at Cu/biomass ratios normally not permitting sMMO synthesis, which achieves a plateau of 320 μmol naphthol formed per gram dry biomass per hour [2].
Name Allylthiourea
Synonyms 1-Prop-2-en-1-ylthioharnstoff
prop-2-enylthiourea
Allyl thiourea
Thiosinamine
1-Allyl-2-thiourea
EINECS 203-683-5
thiourea, N-2-propenyl-
1-Allylthiourea
Thiourea, N-2-propen-1-yl-
MFCD00004940
allylthiourea
Description Allylthiourea is a metabolic inhibitor that selective inhibits ammonia oxidation.Target: OthersAllylthiourea selectively inhibits ammonia oxidation at concentrations 8-80 μM. Allylthiourea (1 μM)inhibits ammonia oxidation by 80%. Complete inhibition is observed at an Allylthiourea concentration of 86 μM [1]. The inhibition of Allylthiourea on ammonia oxidation probably acts through chelating the copper of the ammonia monooxygenase active site. Allylthiourea is able to produce soluble methane monooxygenase (sMMO) in the presence of copper. Addition of 25 μM Allylthiourea decreases intracellular copper by 48% in Methylosinus trichosporium OB3b, allowing sMMO production at Cu/biomass ratios normally not permitting sMMO synthesis, which achieves a plateau of 320 μmol naphthol formed per gram dry biomass per hour [2].
Related Catalog
References

[1]. Ginestet, P., et al., Estimation of nitrifying bacterial activities by measuring oxygen uptake in the presence of the metabolic inhibitors allylthiourea and azide. Appl Environ Microbiol, 1998. 64(6): p. 2266-8.

[2]. Yu, Y., J.A. Ramsay, and B.A. Ramsay, Use of allylthiourea to produce soluble methane monooxygenase in the presence of copper. Appl Microbiol Biotechnol, 2009. 82(2): p. 333-9.
Density 1.1±0.1 g/cm3
Boiling Point 191.3±33.0 °C at 760 mmHg
Melting Point 70-72 °C(lit.)
Molecular Formula C4H8N2S
Molecular Weight 116.185
Flash Point 69.5±25.4 °C
Exact Mass 116.040817
PSA 70.14000
LogP 0.12
Vapour Pressure 0.5±0.4 mmHg at 25°C
Index of Refraction 1.562
Stability Stable. Incompatible with strong oxidizing agents.
Water Solubility 67 g/L (20 ºC)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YR8050000
CHEMICAL NAME :
Urea, 1-allyl-2-thio-
CAS REGISTRY NUMBER :
109-57-9
BEILSTEIN REFERENCE NO. :
1071470
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C4-H8-N2-S
MOLECULAR WEIGHT :
116.20
WISWESSER LINE NOTATION :
SUYZM2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Endocrine - hyperglycemia
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1858 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
150 ug/plate
REFERENCE :
ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83304 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 30 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83304 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 5526 (estimated) No. of Female Employees: 5182 (estimated)
Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301
Precautionary Statements P301 + P310
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T: Toxic;
Risk Phrases R25
Safety Phrases S45-S24/25
RIDADR UN 2811 6.1/PG 3
WGK Germany 2
RTECS YR8050000
Packaging Group III
Hazard Class 6.1
HS Code 29309070
HS Code 29309070

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