hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride

C12H12ClOPS — CID 172809471

IUPAChydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
SMILESCl.OP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11OPS.ClH/c13-14(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,15);1H
InChIKeyRYWXZHMABPFPAG-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.45
Rot. Bonds2

About hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride

hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride (PubChem CID 172809471) has the molecular formula C12H12ClOPS and a molecular weight of 270.72 g/mol. Its IUPAC name is hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride.

Molecular Properties

Compound Namehydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
PubChem CID172809471
Molecular FormulaC12H12ClOPS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Namehydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
SMILESCl.OP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11OPS.ClH/c13-14(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,15);1H
InChIKeyRYWXZHMABPFPAG-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride?
The IUPAC name of hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride (CID 172809471) is hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride.
What is the SMILES notation for hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride?
The canonical SMILES for hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride is Cl.OP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride?
The InChIKey is RYWXZHMABPFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11OPS.ClH/c13-14(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,15);1H.
What are the key properties of hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride?
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride is sourced from PubChem (CID 172809471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).