Basic information
- Standard SMILES
CCOC(=O)c1nc(SC)sc1C(=O)Cl- InChIKey
XHSMFBNSYFKJQS-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO3S2
- Average molar mass
- 265.7 g/mol
Names & identifiers
- Preferred name
- 4-Ethoxycarbonyl-2-methylthiothiazole-5-carboxylic acid chloride
- IUPAC
- ethyl 5-carbonochloridoyl-2-methylsulfanyl-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL9296571XHSMFBNSYFKJQS-UHFFFAOYSA-N4-ethoxycarbonyl-2-methylthiothiazole-5-carboxylic acid chloride
Database identifiers
- PubChem CID
- 15009567
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
3 records
Linked notes
Loading…