4-(4,4,6-trimethyl-2-sulfanylidene-3H-pyrimidin-1-yl)benzenesulfonic acid

Modify Date: 2024-01-30 13:11:24

4-(4,4,6-trimethyl-2-sulfanylidene-3H-pyrimidin-1-yl)benzenesulfonic acid Structure
4-(4,4,6-trimethyl-2-sulfanylidene-3H-pyrimidin-1-yl)benzenesulfonic acid structure
Common Name 4-(4,4,6-trimethyl-2-sulfanylidene-3H-pyrimidin-1-yl)benzenesulfonic acid
CAS Number 63704-52-9 Molecular Weight 312.40800
Density 1.44g/cm3 Boiling Point N/A
Molecular Formula C13H16N2O3S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.44g/cm3
Molecular Formula C13H16N2O3S2
Molecular Weight 312.40800
Exact Mass 312.06000
PSA 117.15000
LogP 3.30290
Index of Refraction 1.682

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW5050000
CHEMICAL NAME :
2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-
CAS REGISTRY NUMBER :
63704-52-9
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-N2-O3-S2
MOLECULAR WEIGHT :
312.43
WISWESSER LINE NOTATION :
T6MYN FHJ BUS CR DSWQ& D1 F1 F1

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 :
200 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

 Synonyms

usaf k-2598
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