2-Thiothymine
Properties
- Molecular formula
- C5H6N2OS
- Molar mass
- 142.18 g/mol
- Exact mass
- 142.0201 Da
- Melting point
- 330 °C
- logP
- 0.78Crippen estimate
- Polar surface area
- 46.0 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 0
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
636-26-0SMILES
Cc1cnc(S)nc1OInChIKey
ZLAQATDNGLKIEV-UHFFFAOYSA-NInChI
InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-
- Thymine, 2-thio-
- 2,3-Dihydro-5-methyl-2-thioxo-4(1H)-pyrimidinone
- 5-Methyl-2-thiouracil
- Thiothymine
- 4-Hydroxy-5-methylpyrimidine-2-thione
- 4-Hydroxy-5-methyl-2-mercaptopyrimidine
- NSC 314272
- NSC 9377
- 5-Methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
Work with 2-Thiothymine
Similar compounds
Thymine65-71-459 % similar
6-Aza-2-thiothymine615-76-944 % similar
Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate38026-46-943 % similar
2-Thioxanthine2487-40-338 % similar
5-Chloro-3-methyl-2(1H)-pyridinone58498-61-637 % similar
5-Bromo-3-methyl-2(1H)-pyridinone89488-30-237 % similar
2-Hydroxy-3-methylpyridine1003-56-136 % similar
2-Thiouracil141-90-236 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.