Basic information
- Standard SMILES
O=C=NS(=O)(=O)c1cccs1- InChIKey
JBPHCEHVHVSGEP-UHFFFAOYSA-N- Molecular formula
- C5H3NO3S2
- Average molar mass
- 189.2 g/mol
Names & identifiers
- Preferred name
- Thiophene-2-sulfonyl isocyanate
- IUPAC
- N-(oxomethylidene)thiophene-2-sulfonamide
Names & synonyms
thiophene-2-sulfonyl isocyanate64902-33-6N-(oxomethylidene)thiophene-2-sulfonamide2-thiophenesulfonylisocyanatethiophene-2-sulfonylisocyanate2-Thiophenesulfonyl isocyanateSCHEMBL3255684JBPHCEHVHVSGEP-UHFFFAOYSA-NPCA90233EN300-170559G48693
Database identifiers
- PubChem CID
- 12875192
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 273
Related reactions
15 records
Compound notes
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