3a,7a-Dihydro-1,2,3-benzothiadiazole
Basic information
- CAS
73299-03-3- Standard SMILES
C1=CC2N=NSC2C=C1- InChIKey
IXWDMNHEKAMXCY-UHFFFAOYSA-N- Molecular formula
- C6H6N2S
- Average molar mass
- 138.19 g/mol
- Monoisotopic mass
- 138.02516937
Names & identifiers
- Preferred name
- 3a,7a-Dihydro-1,2,3-benzothiadiazole
- IUPAC
- 3a,7a-dihydro-1,2,3-benzothiadiazole
- English name
- Benzothiadiazole
- Molecular formula
- C6H4N2S
- Molecular weight
- 136.17436
Names & synonyms
73299-03-33a,7a-dihydro-1,2,3-benzothiadiazoleSCHEMBL14114324DTXSID20994018Benzothiadiazole
Database identifiers
- CAS
73299-03-3- PubChem CID
- 93587
- DTXSID
DTXSID20994018
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 195
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Related reactions
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Compound notes
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