Basic information
- CAS
31121-37-6- Standard SMILES
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2- InChIKey
USFVUQLEAMXHAQ-UHFFFAOYSA-N- Molecular formula
- C14H13O2PS
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.03738782
Names & identifiers
- Preferred name
- Phenothiaphosphine, 10-hydroxy-2,8-dimethyl-, 10-oxide
- IUPAC
- 10-hydroxy-2,8-dimethylbenzo[b][1,4]benzothiaphosphinine 10-oxide
- English name
- 10-Hydroxy-2,8-dimethyl-10H-phenothiaphosphine 10-oxide
- Molecular formula
- C14H13O2PS
- Molecular weight
- 276.29
Names & synonyms
NSC 87213Phenothiaphosphine, 10-hydroxy-2,8-dimethyl-, 10-oxideBRN 053484131121-37-6Phenothiaphosphorin, 10-hydroxy-2,8-dimethyl-, 10-oxideDTXSID00185063RefChem:369466DTXCID10107554NSC666506NSC872132,8-Dimethyl-10H-phenothiaphosphinin-10-ol 10-oxideNSC-87213
Show more names
10-Hydroxy-2,8-dimethyl-10H-phenothiaphosphine 10-oxide10H-Phenothiaphosphine, 10-hydroxy-2,8-dimethyl-, 10-oxide
NSC-666506Phenothiaphosphine,8-dimethyl-, 10-oxidePhenothiaphosphorin,8-dimethyl-, 10-oxideWLN: T C666 BP ISJ BQ BO E1 M110-hydroxy-2,8-dimethyl-benzo[b][1,4]benzothiaphosphinine 10-oxide10-Hydroxy-2,8-dimethyl-10H-10lambda~5~-phenothiaphosphinin-10-one
Database identifiers
- CAS
31121-37-6- PubChem CID
- 96705
- DTXSID
DTXSID00185063- Nikkaji
- J50.181F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 543.7 · 543.7±50.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 2.02 · 2.02±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…