thiothymine

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-dimethylthymine
  • 3,3-Diethoxy-2-methylpropanoic acid ethyl ester
  • ethyl 3-hydroxy-2-methylprop-2-enoate

DownStream

  • 5-Methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone
  • 5-methylpyrimidine-2,4-diamine
  • Thymine
  • 4-Hydroxy-5-methylpyrimidine
  • 2-Thiothymidine
  • 2-ETHYLTHIO-5-METHYL-3H-PYRIMIDIN-4-ONE
  • 4-Amino-5-methylpyrimidine
  • 4-CHLORO-5-METHYL-2-(METHYLTHIO)PYRIMIDINE

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%

Related Compounds

  • 4-Thiothymine
  • 6-AZA-2-THIOTHYMINE
  • 1-Ribo-4'-thiothymine
  • bis(trimethylsilyl)-2-thiothymine
  • 1-(2-acetoxyethoxy methyl)-2-thiothymine
  • 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)-2-thiothymine
  • (3R)-3-(3-chloropyridin-4-yl)-3-hydroxypropanoic acid
  • 3-(5-Chloro-2-fluoropyridin-3-yl)-2-hydroxy-2-methylpropanoic acid
  • 2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)oxy]acetic acid
  • 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]cyclobutane-1-carboxylic acid
  • 3,3-Difluoro-3-(quinolin-7-yl)propanoic acid
  • 1-[(4,6-Dichloropyrimidin-5-yl)methyl]cyclopropane-1-carboxylic acid
  • 2-[1-(Methanesulfonylmethyl)cyclobutyl]acetic acid
  • 4,4-difluoro-3-(4-fluoro-1H-indol-3-yl)butanoic acid
  • 2-[1-(4-Chlorothiophen-2-yl)cyclopropyl]-2-methoxyacetic acid
  • 1-(4-Ethylcyclohexyl)-2,2-difluorocyclopropane-1-carboxylic acid
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