Basic information
- CAS
87764-52-1- Standard SMILES
CSc1nc(C)c(CCCl)s1- InChIKey
FFXPPGZKKKMFRL-UHFFFAOYSA-N- Molecular formula
- C7H10ClNS2
- Average molar mass
- 207.7 g/mol
- Monoisotopic mass
- 206.9943194
Names & identifiers
- Preferred name
- Thiazole, 5-(2-chloroethyl)-4-methyl-2-(methylthio)-
- IUPAC
- 5-(2-chloroethyl)-4-methyl-2-methylsulfanyl-1,3-thiazole
Names & synonyms
87764-52-1Thiazole, 5-(2-chloroethyl)-4-methyl-2-(methylthio)-DTXSID603888965-(2-CHLOROETHYL)-4-METHYL-2-(METHYLSULFANYL)-1,3-THIAZOLE
Database identifiers
- CAS
87764-52-1- PubChem CID
- 3057930
- DTXSID
DTXSID60388896
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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