Basic information
- CAS
55705-77-6- Standard SMILES
CC(C)(C)P(O)(=S)c1ccccc1- InChIKey
ACQNBIJCKLUKMY-UHFFFAOYSA-N- Molecular formula
- C10H15OPS
- Average molar mass
- 214.27 g/mol
- Monoisotopic mass
- 214.05812327
Names & identifiers
- Preferred name
- Phosphinothioic acid, (1,1-dimethylethyl)phenyl-
- IUPAC
- tert-butyl-hydroxy-phenyl-sulfanylidene-λ5-phosphane
Names & synonyms
6002-45-5Phosphinothioic acid, (1,1-dimethylethyl)phenyl-55705-77-6tert-Butyl(phenyl)phosphinothioic S-acid(S)-tert-butyl(phenyl)phosphinothioic s-acid(R)-tert-butyl(phenyl)phosphinothioic s-acidTERT-BUTYL(PHENYL)SULFANYLIDENEPHOSPHINOUS ACID(-)-(1,1-Dimethylethyl)phenylphosphinothioic acid(S)-(1,1-Dimethylethyl)phenylphosphinothioic acidSCHEMBL5454368SCHEMBL5454371Phosphinothioic acid, (1,1-dimethylethyl)phenyl-, (-)-
Show more names
DTXSID70971076t-butylphenyl-phosphinothioic acidACQNBIJCKLUKMY-UHFFFAOYSA-Ntert-Butyl(phenyl)phosphinothioic o-acid(+)-(r)-t-butylphenylphosphinothioic acid(s)-(+)-t-butylphenylphosphinothioic acidtert-Butyl(phenyl)phosphinothioic o-acid #EN300-8292094
Database identifiers
- CAS
55705-77-6- PubChem CID
- 333203
- DTXSID
DTXSID70971076- Nikkaji
- J2.620.659F、J479.282C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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