6-Methylbenzo[d]isothiazol-3-amine
Basic information
- CAS
613262-36-5- Standard SMILES
Cc1ccc2c(N)nsc2c1- InChIKey
JGCLJZXKGBHIQL-UHFFFAOYSA-N- Molecular formula
- C8H8N2S
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.04081944
Names & identifiers
- Preferred name
- 6-Methylbenzo[d]isothiazol-3-amine
- IUPAC
- 6-methyl-1,2-benzothiazol-3-amine
Names & synonyms
6-Methylbenzo[d]isothiazol-3-amine613262-36-5SCHEMBL8269239DTXSID801293288MJC360856-methyl-1,2-benzothiazol-3-amine6-Methyl-1,2-benzisothiazol-3-amine
Database identifiers
- CAS
613262-36-5- PubChem CID
- 10397136
- DTXSID
DTXSID801293288
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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