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
  • tert-Butyl (4-amino-2-ethoxy-5-(methylamino)phenyl)carbamate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 2-[4-(Benzenesulfonyl)piperidin-1-yl]-4,6-dimethylpyrimidine
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine