1H-pyrrolo[2,1-c][1,4]thiazine
Basic information
- CAS
51568-37-7- Standard SMILES
C1=Cn2cccc2CS1- InChIKey
LMFZCLWJOUSWGP-UHFFFAOYSA-N- Molecular formula
- C7H7NS
- Average molar mass
- 137.2 g/mol
- Monoisotopic mass
- 137.0299204
Overview
1H-Pyrrolo[2,1-c][1,4]thiazine is a 1,4-thiazine.
Names & identifiers
- Preferred name
- 1H-pyrrolo[2,1-c][1,4]thiazine
- IUPAC
- 1H-pyrrolo[2,1-c][1,4]thiazine
Names & synonyms
1H-pyrrolo[2,1-c][1,4]thiazine1H-pyrrolo[2,1-c]-1,4-thiazine51568-37-7LND7C758G4DTXSID80335584CHEBI:179507LMFZCLWJOUSWGP-UHFFFAOYSA-N
Database identifiers
- CAS
51568-37-7- PubChem CID
- 526182
- DTXSID
DTXSID80335584- ChEBI
CHEBI:179507- UNII
- LND7C758G4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Melting Point47 - 48 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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