2-Mercapto-4-methyl-5-hydroxyethylthiazole
Completing data — refresh the page later to see the latest
Basic information
- CAS
1124-01-2- Standard SMILES
Cc1[nH]c(=S)sc1CCO- InChIKey
CBEZEZZIXCULJW-UHFFFAOYSA-N- Molecular formula
- C6H9NOS2
- Average molar mass
- 175.3 g/mol
- Monoisotopic mass
- 175.01255626
Names & identifiers
- Preferred name
- 2-Mercapto-4-methyl-5-hydroxyethylthiazole
- IUPAC
- 5-(2-hydroxyethyl)-4-methyl-3H-1,3-thiazole-2-thione
- English name
- 2-MERCAPTO-4-METHYL-5-HYDROXYETHYLTHIAZOLE
- Molecular formula
- C6H9NOS2
- Molecular weight
- 175.27
Names & synonyms
1124-01-22-MERCAPTO-4-METHYL-5-HYDROXYETHYLTHIAZOLE5-(2-hydroxyethyl)-4-methyl-3H-1,3-thiazole-2-thione2-(2-MERCAPTO-4-METHYL-THIAZOL-5-YL)-ETHANOL2-(2-mercapto-4-methylthiazol-5-yl)ethan-1-ol2-(4-methyl-2-sulfanyl-1,3-thiazol-5-yl)ethan-1-olSCHEMBL8061952DTXSID50402232AKOS006278863DB-0218195-(2-hydroxyethyl)-2-mercapto-4-methylthiazole5-(2-Hydroxyethyl)-4-methyl-1,3-thiazole-2(3H)-thione
Show more names
2-(2-Mercapto-4-Methyl-5-thiazolyl)ethanol, 95%2(3H)-Thiazolethione, 5-(2-hydroxyethyl)-4-Methyl-
Database identifiers
- CAS
1124-01-2- PubChem CID
- 4349918
- DTXSID
DTXSID50402232- Nikkaji
- J37.310I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 167 · 167-170 °C(Press: 20 Torr)
- Density
- 1.1988 g/cm3 · 1.1988 g/cm3
- pka
- 8.39 · 8.39±0.60(Predicted)
- form
- Solid
- CAS DataBase Reference
- 1124 · 1124-01-2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…