2,4-dithiouracil

Names

[ CAS No. ]:
2001-93-6

[ Name ]:
2,4-dithiouracil

[Synonym ]:
2,4-dithio-uraci
pyrimidine-2,4-dithione
Pyrimidine-2,4(1H,3H)-dithione
2,4-pyrimidinedithiol
Uracil,2,4-dithio
2,4-dithiouracil
2,4-Dithiopyrimidine
EINECS 217-894-5
pyrimidine-2,4-dithiol
Dithiopyrimidine
MFCD00006042
usafcb-14
4-sulfanyl-2(3H)-pyrimidinethione
Dithiouracil
2,4(1H,3H)-Pyrimidinedithione

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
225.6±23.0 °C at 760 mmHg

[ Melting Point ]:
279-281 °C (dec.)(lit.)

[ Molecular Formula ]:
C₄H₄N₂S₂

[ Molecular Weight ]:
144.218

[ Flash Point ]:
90.3±22.6 °C

[ Exact Mass ]:
143.981583

[ PSA ]:
95.76000

[ LogP ]:
0.30

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.776

[ Storage condition ]:
Store Cold

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YR0175000

CHEMICAL NAME :: Uracil, 2,4-dithio-

CAS REGISTRY NUMBER :: 2001-93-6

LAST UPDATED :: 199504

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C4-H4-N2-S2

MOLECULAR WEIGHT :: 144.22

WISWESSER LINE NOTATION :: T6MYMYJ BUS DUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1634 No. of Facilities: 201 (estimated) No. of Industries: 5 No. of Occupations: 7 No. of Employees: 743 (estimated) No. of Female Employees: 260 (estimated)

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
YR0175000

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Photoelectron spectroscopic study of the negative ions of 4-thiouracil and 2,4-dithiouracil.

J. Chem. Phys. 134(7) , 074304, (2011)

We report the photoelectron spectra of the negative ions of 4-thiouracil (4-TU)(-) and 2,4-dithiouracil (2,4-DTU)(-). Both of these spectra are indicative of valence anions, and they are each dominate...

Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions.

J. Chem. Phys. 134(7) , 074305, (2011)

Electron affinities, vertical electron detachment energies, and isomerization energies of 4-thiouracil, 2-thiouracil, and 2,4-dithiouracil and their valence anions have been calculated with ab initio ...

Photochemistry and electrochemistry of anticancer uracils.

J. Photochem. Photobiol. B, Biol. 117 , 269-77, (2012)

The redox mechanism and electronic absorption behavior of a commercial anticancer drug, 5-fluorouracil (5-FU) and two potential anticancer drugs, 2-thiouracil (2-TU) and dithiouracil (DTU) have been i...