2-diphenylphosphanylcyclohexane-1-thiol

C18H21PS — CID 132606226

IUPAC2-diphenylphosphanylcyclohexane-1-thiol
SMILESSC1CCCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21PS/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20H,7-8,13-14H2
InChIKeyIRDJITOUKJLCFC-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.36
Rot. Bonds3

About 2-diphenylphosphanylcyclohexane-1-thiol

2-diphenylphosphanylcyclohexane-1-thiol (PubChem CID 132606226) has the molecular formula C18H21PS and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-diphenylphosphanylcyclohexane-1-thiol.

Molecular Properties

Compound Name2-diphenylphosphanylcyclohexane-1-thiol
PubChem CID132606226
Molecular FormulaC18H21PS
Molecular Weight300.41 g/mol
Exact Mass300.11
IUPAC Name2-diphenylphosphanylcyclohexane-1-thiol
SMILESSC1CCCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21PS/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20H,7-8,13-14H2
InChIKeyIRDJITOUKJLCFC-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
2-diphenylphosphanylcyclohexan-1-ol
CID 15198683
(1R)-2-diphenylphosphanylcyclohexan-1-amine
CID 155884941
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
cyclononyl(diphenyl)phosphane
CID 70908257
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
[2-[(1S,2R)-2-diphenylphosphanylcyclopentyl]phenyl]-diphenylphosphane
CID 101125838
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylcyclohexane-1-thiol?
The IUPAC name of 2-diphenylphosphanylcyclohexane-1-thiol (CID 132606226) is 2-diphenylphosphanylcyclohexane-1-thiol.
What is the SMILES notation for 2-diphenylphosphanylcyclohexane-1-thiol?
The canonical SMILES for 2-diphenylphosphanylcyclohexane-1-thiol is SC1CCCCC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylcyclohexane-1-thiol?
The InChIKey is IRDJITOUKJLCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21PS/c20-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,20H,7-8,13-14H2.
What are the key properties of 2-diphenylphosphanylcyclohexane-1-thiol?
2-diphenylphosphanylcyclohexane-1-thiol has a molecular weight of 300.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylcyclohexane-1-thiol is sourced from PubChem (CID 132606226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).