Basic information
- CAS
43153-80-6- Standard SMILES
c1ccc2c(c1)SCc1cccn1-2- InChIKey
XMFVLRPTVSHFIZ-UHFFFAOYSA-N- Molecular formula
- C11H9NS
- Average molar mass
- 187.26 g/mol
- Monoisotopic mass
- 187.04557046
Overview
RN is from 9th CI, Chem Subs Index; structure
Names & identifiers
- Preferred name
- 4H-Pyrrolo(2,1-c)(1,4)benzothiazine
- IUPAC
- 4H-pyrrolo[2,1-c][1,4]benzothiazine
Names & synonyms
4H-Pyrrolo(2,1-c)(1,4)benzothiazine4H-pyrrolo[2,1-c][1,4]benzothiazine43153-80-6DTXSID50195733RefChem:100706DTXCID90118224SCHEMBL11771343
Database identifiers
- CAS
43153-80-6- PubChem CID
- 6451963
- DTXSID
DTXSID50195733- Nikkaji
- J471.173D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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