Basic information
- Standard SMILES
c1ccc2nscc2c1- InChIKey
JGQPSDIWMGNAPE-UHFFFAOYSA-N- Molecular formula
- C7H5NS
- Average molar mass
- 135.19 g/mol
- Monoisotopic mass
- 135.01427034
Names & identifiers
- Preferred name
- Benzo[c]isothiazole
- IUPAC
- 2,1-benzothiazole
Names & synonyms
2,1-benzisothiazolebenzo[c]isothiazoleisothiazolobenzeneSCHEMBL130246SCHEMBL130735SCHEMBL131083SCHEMBL131323SCHEMBL132280SCHEMBL330494SCHEMBL6630873SCHEMBL8592630JGQPSDIWMGNAPE-UHFFFAOYSA-N
Show more names
MFCD11109146AKOS006308429SY378553InChI=1/C7H5NS/c1-2-4-7-6(3-1)5-9-8-7/h1-510016-27-0
Database identifiers
- PubChem CID
- 638008
- Nikkaji
- J38.216G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Related reactions
3 records
Compound notes
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