bis(phenyl dihydrogen phosphite);sulfane

C12H16O6P2S — CID 174625507

IUPACbis(phenyl dihydrogen phosphite);sulfane
SMILESOP(O)Oc1ccccc1.OP(O)Oc1ccccc1.S
InChIInChI=1S/2C6H7O3P.H2S/c2*7-10(8)9-6-4-2-1-3-5-6;/h2*1-5,7-8H;1H2
InChIKeyJPJKLGHVPGGCFB-UHFFFAOYSA-N
MW350.27 g/mol
LogP2.67
Rot. Bonds4

About bis(phenyl dihydrogen phosphite);sulfane

bis(phenyl dihydrogen phosphite);sulfane (PubChem CID 174625507) has the molecular formula C12H16O6P2S and a molecular weight of 350.27 g/mol. Its IUPAC name is bis(phenyl dihydrogen phosphite);sulfane.

Molecular Properties

Compound Namebis(phenyl dihydrogen phosphite);sulfane
PubChem CID174625507
Molecular FormulaC12H16O6P2S
Molecular Weight350.27 g/mol
Exact Mass350.01
IUPAC Namebis(phenyl dihydrogen phosphite);sulfane
SMILESOP(O)Oc1ccccc1.OP(O)Oc1ccccc1.S
InChIInChI=1S/2C6H7O3P.H2S/c2*7-10(8)9-6-4-2-1-3-5-6;/h2*1-5,7-8H;1H2
InChIKeyJPJKLGHVPGGCFB-UHFFFAOYSA-N
XLogP2.67
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;phenyl dihydrogen phosphite
CID 173093871
strontium;hydride;phenyl dihydrogen phosphite
CID 173442477
ethane-1,2-diol;phenyl dihydrogen phosphite
CID 118162360
phenoxy(phenyl)phosphinous acid
CID 21107296
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
methylsulfanyl phenyl hydrogen phosphite
CID 175099575
formyl(phenoxy)phosphinous acid
CID 19387428
diphenyl hydrogen phosphite;ethanol
CID 159674253
phenoxy dihydrogen phosphite
CID 22750423
(3-iodophenyl) dihydrogen phosphite
CID 174648122
4-diphenoxyphosphanylbutyl(diphenoxy)phosphane
CID 139899843

Frequently Asked Questions

What is the IUPAC name of bis(phenyl dihydrogen phosphite);sulfane?
The IUPAC name of bis(phenyl dihydrogen phosphite);sulfane (CID 174625507) is bis(phenyl dihydrogen phosphite);sulfane.
What is the SMILES notation for bis(phenyl dihydrogen phosphite);sulfane?
The canonical SMILES for bis(phenyl dihydrogen phosphite);sulfane is OP(O)Oc1ccccc1.OP(O)Oc1ccccc1.S.
What is the InChIKey of bis(phenyl dihydrogen phosphite);sulfane?
The InChIKey is JPJKLGHVPGGCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7O3P.H2S/c2*7-10(8)9-6-4-2-1-3-5-6;/h2*1-5,7-8H;1H2.
What are the key properties of bis(phenyl dihydrogen phosphite);sulfane?
bis(phenyl dihydrogen phosphite);sulfane has a molecular weight of 350.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenyl dihydrogen phosphite);sulfane is sourced from PubChem (CID 174625507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).