(3-phenylsulfanylphenyl) phosphanylformate

C13H11O2PS — CID 20789561

IUPAC(3-phenylsulfanylphenyl) phosphanylformate
SMILESO=C(P)Oc1cccc(Sc2ccccc2)c1
InChIInChI=1S/C13H11O2PS/c14-13(16)15-10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,16H2
InChIKeyBSLKZBGDWIPNHB-UHFFFAOYSA-N
MW262.27 g/mol
LogP4.21
Rot. Bonds3

About (3-phenylsulfanylphenyl) phosphanylformate

(3-phenylsulfanylphenyl) phosphanylformate (PubChem CID 20789561) has the molecular formula C13H11O2PS and a molecular weight of 262.27 g/mol. Its IUPAC name is (3-phenylsulfanylphenyl) phosphanylformate.

Molecular Properties

Compound Name(3-phenylsulfanylphenyl) phosphanylformate
PubChem CID20789561
Molecular FormulaC13H11O2PS
Molecular Weight262.27 g/mol
Exact Mass262.02
IUPAC Name(3-phenylsulfanylphenyl) phosphanylformate
SMILESO=C(P)Oc1cccc(Sc2ccccc2)c1
InChIInChI=1S/C13H11O2PS/c14-13(16)15-10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,16H2
InChIKeyBSLKZBGDWIPNHB-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-phenylsulfanylphenyl) phosphanylformate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2-(3-phenylsulfanylphenoxy)prop-2-enoic acid
CID 67855467
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfanylphenyl] 2-methylprop-2-enoate
CID 22602097
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
[3-(4-formylphenyl)sulfanylphenyl] acetate
CID 59601633
4-[3-[3-(3,4-dicarboxyphenoxy)phenyl]sulfanylphenoxy]phthalic acid
CID 18419929
phenylsulfanylbenzene;urea
CID 161199097
[4-[4-(3-phenylprop-2-ynoyloxy)phenyl]sulfanylphenyl] 3-phenylprop-2-ynoate
CID 139291678
2-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]acetyl chloride
CID 87260314
1-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethanone
CID 58014066
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
CID 15125729
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453

Frequently Asked Questions

What is the IUPAC name of (3-phenylsulfanylphenyl) phosphanylformate?
The IUPAC name of (3-phenylsulfanylphenyl) phosphanylformate (CID 20789561) is (3-phenylsulfanylphenyl) phosphanylformate.
What is the SMILES notation for (3-phenylsulfanylphenyl) phosphanylformate?
The canonical SMILES for (3-phenylsulfanylphenyl) phosphanylformate is O=C(P)Oc1cccc(Sc2ccccc2)c1.
What is the InChIKey of (3-phenylsulfanylphenyl) phosphanylformate?
The InChIKey is BSLKZBGDWIPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O2PS/c14-13(16)15-10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,16H2.
What are the key properties of (3-phenylsulfanylphenyl) phosphanylformate?
(3-phenylsulfanylphenyl) phosphanylformate has a molecular weight of 262.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylsulfanylphenyl) phosphanylformate is sourced from PubChem (CID 20789561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).