benzylsulfanyl(hydroxy)phosphinate

C7H8O3PS- — CID 140570730

IUPACbenzylsulfanyl(hydroxy)phosphinate
SMILESO=P([O-])(O)SCc1ccccc1
InChIInChI=1S/C7H9O3PS/c8-11(9,10)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)/p-1
InChIKeyORUGPWKFNPKJGA-UHFFFAOYSA-M
MW203.18 g/mol
LogP1.38
Rot. Bonds3

About benzylsulfanyl(hydroxy)phosphinate

benzylsulfanyl(hydroxy)phosphinate (PubChem CID 140570730) has the molecular formula C7H8O3PS- and a molecular weight of 203.18 g/mol. Its IUPAC name is benzylsulfanyl(hydroxy)phosphinate.

Molecular Properties

Compound Namebenzylsulfanyl(hydroxy)phosphinate
PubChem CID140570730
Molecular FormulaC7H8O3PS-
Molecular Weight203.18 g/mol
Exact Mass202.99
IUPAC Namebenzylsulfanyl(hydroxy)phosphinate
SMILESO=P([O-])(O)SCc1ccccc1
InChIInChI=1S/C7H9O3PS/c8-11(9,10)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)/p-1
InChIKeyORUGPWKFNPKJGA-UHFFFAOYSA-M
XLogP1.38
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene
CID 68500660
nitrosulfanylmethylbenzene;phosphoric acid;trihydrate
CID 174965770
benzylbenzene;phosphoric acid
CID 161249494
sodium benzylsulfanyl-[(4-phenylphenyl)methylamino]phosphinate
CID 71652937
benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane
CID 6453024
trizinc;(benzyldisulfanyl)methylbenzene;dithiophosphate
CID 175857354
CID 23340127
CID 23340127
potassium benzylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 70633644
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
CID 174826908
(2R)-2-[[(1S)-1-carboxylato-2-phenylethyl]-hydroxyphosphoryl]-3-phenylpropanoate
CID 8022878
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417

Frequently Asked Questions

What is the IUPAC name of benzylsulfanyl(hydroxy)phosphinate?
The IUPAC name of benzylsulfanyl(hydroxy)phosphinate (CID 140570730) is benzylsulfanyl(hydroxy)phosphinate.
What is the SMILES notation for benzylsulfanyl(hydroxy)phosphinate?
The canonical SMILES for benzylsulfanyl(hydroxy)phosphinate is O=P([O-])(O)SCc1ccccc1.
What is the InChIKey of benzylsulfanyl(hydroxy)phosphinate?
The InChIKey is ORUGPWKFNPKJGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9O3PS/c8-11(9,10)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)/p-1.
What are the key properties of benzylsulfanyl(hydroxy)phosphinate?
benzylsulfanyl(hydroxy)phosphinate has a molecular weight of 203.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanyl(hydroxy)phosphinate is sourced from PubChem (CID 140570730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).