Basic information
- Standard SMILES
COC(=O)c1cc(C)sc1N=C=O- InChIKey
XIPRWOYTEWWUIZ-UHFFFAOYSA-N- Molecular formula
- C8H7NO3S
- Average molar mass
- 197.21 g/mol
Names & identifiers
- Preferred name
- Methyl 2-isocyanato-5-methylthiophene-3-carboxylate
- IUPAC
- methyl 2-isocyanato-5-methylthiophene-3-carboxylate
Names & synonyms
methyl 2-isocyanato-5-methylthiophene-3-carboxylate956576-57-1MFCD09971936SCHEMBL10710912XIPRWOYTEWWUIZ-UHFFFAOYSA-NALBB-003052BBL037670STK502572AKOS005171107VS-14356DB-351873H22510
Show more names
methyl 2-isocyanato-5-methyl-thiophene-3-carboxylate
Database identifiers
- PubChem CID
- 20186671
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
1 records
Compound notes
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