Phenothiazone
Basic information
- CAS
581-30-6- Standard SMILES
O=c1ccc2nc3ccccc3sc-2c1- InChIKey
YKGCCFHSXQHWIG-UHFFFAOYSA-N- Molecular formula
- C12H7NOS
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.02483484
Names & identifiers
- Preferred name
- Phenothiazone
- IUPAC
- phenothiazin-3-one
- English name
- 3-Phenothiazone
- Molecular formula
- C12H7NOS
- Molecular weight
- 213.26
Names & synonyms
3H-Phenothiazin-3-one3-Phenothiazone581-30-6Phenothiazone5YML4NNP1ENSC-402439DTXSID4073912RefChem:1094989DTXCID1042316phenothiazin-3-one3H-Phenothiazine-3-one3H-Phenothiazinone
Show more names
NSC402439MLS003171518MFCD00966897NSC 4024393H-phenothiaz-3-oneAI3-03564UNII-5YML4NNP1ESCHEMBL87789
Database identifiers
- CAS
581-30-6- PubChem CID
- 68485
- DTXSID
DTXSID4073912- ChEMBL
CHEMBL1879816- UNII
- 5YML4NNP1E
- Nikkaji
- J1.211.575J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- FDA UNII
- 5 YML4NNP1E · 5YML4NNP1E
- EPA Substance Registry System
- 3 H-Phenothiazin-3-one · 3H-Phenothiazin-3-one (581-30-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
14 records
Compound notes
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