bis(phenylsulfanyl)phosphane;ethanol

C14H17OPS2 — CID 142939006

IUPACbis(phenylsulfanyl)phosphane;ethanol
SMILESCCO.c1ccc(SPSc2ccccc2)cc1
InChIInChI=1S/C12H11PS2.C2H6O/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12;1-2-3/h1-10,13H;3H,2H2,1H3
InChIKeyAVCOGNDURURNAQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP5.08
Rot. Bonds4

About bis(phenylsulfanyl)phosphane;ethanol

bis(phenylsulfanyl)phosphane;ethanol (PubChem CID 142939006) has the molecular formula C14H17OPS2 and a molecular weight of 296.40 g/mol. Its IUPAC name is bis(phenylsulfanyl)phosphane;ethanol.

Molecular Properties

Compound Namebis(phenylsulfanyl)phosphane;ethanol
PubChem CID142939006
Molecular FormulaC14H17OPS2
Molecular Weight296.40 g/mol
Exact Mass296.05
IUPAC Namebis(phenylsulfanyl)phosphane;ethanol
SMILESCCO.c1ccc(SPSc2ccccc2)cc1
InChIInChI=1S/C12H11PS2.C2H6O/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12;1-2-3/h1-10,13H;3H,2H2,1H3
InChIKeyAVCOGNDURURNAQ-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.08
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

bis(phenylsulfanyl)phosphane
CID 69055094
bis(diphenylphosphane);ethanol
CID 175242741
ethanol;naphthalene
CID 91408804
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CID 163490614
bromobenzene;ethanol
CID 134249194
ethanol;toluene;trihydrochloride
CID 175328160
azane;ethanol;toluene
CID 131739211
aniline;ethanol
CID 22137766
ethane;ethanol;phenol
CID 90945596
ethane;ethanol;phenol
CID 90921217
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CID 87661079
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299

Frequently Asked Questions

What is the IUPAC name of bis(phenylsulfanyl)phosphane;ethanol?
The IUPAC name of bis(phenylsulfanyl)phosphane;ethanol (CID 142939006) is bis(phenylsulfanyl)phosphane;ethanol.
What is the SMILES notation for bis(phenylsulfanyl)phosphane;ethanol?
The canonical SMILES for bis(phenylsulfanyl)phosphane;ethanol is CCO.c1ccc(SPSc2ccccc2)cc1.
What is the InChIKey of bis(phenylsulfanyl)phosphane;ethanol?
The InChIKey is AVCOGNDURURNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11PS2.C2H6O/c1-3-7-11(8-4-1)14-13-15-12-9-5-2-6-10-12;1-2-3/h1-10,13H;3H,2H2,1H3.
What are the key properties of bis(phenylsulfanyl)phosphane;ethanol?
bis(phenylsulfanyl)phosphane;ethanol has a molecular weight of 296.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)phosphane;ethanol is sourced from PubChem (CID 142939006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).