thiothymine
Names
[ CAS No. ]:
636-26-0
[ Name ]:
thiothymine
[Synonym ]:
5-Methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
MFCD00009777
5-Methyl-2-sulfanylpyrimidin-4-ol
5-Methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-
thiothymine
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Chemical & Physical Properties
[ Density]:
1.4±0.1 g/cm3
[ Boiling Point ]:
329.7ºC at 760 mmHg
[ Melting Point ]:
283-286°C
[ Molecular Formula ]:
C5H6N2OS
[ Molecular Weight ]:
142.179
[ Flash Point ]:
153.2ºC
[ Exact Mass ]:
142.020081
[ PSA ]:
80.74000
[ LogP ]:
0.31
[ Index of Refraction ]:
1.638
[ Stability ]:
Stable but may be heat or light sensitive. Incompatible with strong oxidizing agents.
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XP2108500
- CHEMICAL NAME :
- Thymine, 2-thio-
- CAS REGISTRY NUMBER :
- 636-26-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C5-H6-N2-O-S
- MOLECULAR WEIGHT :
- 142.19
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,478,1949
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,478,1949
Safety Information
[ Hazard Codes ]:
Xi
[ Risk Phrases ]:
R22;R40
[ Safety Phrases ]:
S22-S36/37
[ RTECS ]:
XP2108500
[ HS Code ]:
2933599090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%