3-Isocyanato-5-methyl-1,2-benzothiazole
Basic information
- CAS
105734-79-0- Standard SMILES
Cc1ccc2snc(N=C=O)c2c1- InChIKey
MJGPPXRKKBOYJU-UHFFFAOYSA-N- Molecular formula
- C9H6N2OS
- Average molar mass
- 190.22 g/mol
- Monoisotopic mass
- 190.02008399
Names & identifiers
- Preferred name
- 3-Isocyanato-5-methyl-1,2-benzothiazole
- IUPAC
- 3-isocyanato-5-methyl-1,2-benzothiazole
Names & synonyms
3-Isocyanato-5-methyl-1,2-benzothiazole105734-79-0DTXSID20147300
Database identifiers
- CAS
105734-79-0- PubChem CID
- 184565
- DTXSID
DTXSID20147300
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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