6-Bromo-3-methylthieno[2,3-d]isothiazole
Basic information
- CAS
887585-93-5- Standard SMILES
Cc1nsc2c(Br)csc12- InChIKey
NGFHAVHXUDPGJY-UHFFFAOYSA-N- Molecular formula
- C6H4BrNS2
- Average molar mass
- 234.1 g/mol
- Monoisotopic mass
- 232.89685
Names & identifiers
- Preferred name
- 6-Bromo-3-methylthieno[2,3-d]isothiazole
- IUPAC
- 6-bromo-3-methylthieno[2,3-d][1,2]thiazole
Names & synonyms
6-bromo-3-methylthieno[2,3-d]isothiazole887585-93-56-bromo-3-methylthieno[2,3-d][1,2]thiazoleDTXSID801275963SBB0981856-bromo-3-methylthiopheno[2,3-d]isothiazoleAP-836/41220402
Database identifiers
- CAS
887585-93-5- PubChem CID
- 820696
- DTXSID
DTXSID801275963
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
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Compound notes
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