trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol

C18H21OPS2 — CID 101201910

IUPACtrans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1SP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OPS2/c19-17-13-7-8-14-18(17)22-20(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18-/m0/s1
InChIKeyBVDSHUVTZQLLNJ-ROUUACIJSA-N
MW348.47 g/mol
LogP4.07
Rot. Bonds4

About trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol

trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol (PubChem CID 101201910) has the molecular formula C18H21OPS2 and a molecular weight of 348.47 g/mol. Its IUPAC name is trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol
PubChem CID101201910
Molecular FormulaC18H21OPS2
Molecular Weight348.47 g/mol
Exact Mass348.08
IUPAC Nametrans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1SP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OPS2/c19-17-13-7-8-14-18(17)22-20(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18-/m0/s1
InChIKeyBVDSHUVTZQLLNJ-ROUUACIJSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.07
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

trans-(1R,2R)-2-benzylsulfanylcyclopentan-1-ol
CID 14194460
trans-(1S,2S)-1-N,2-N-bis(diphenylphosphinothioyl)cyclohexane-1,2-diamine
CID 102079929
(2-hydroxycyclohexyl) N-benzylcarbamodithioate
CID 71421723
2-pyridin-2-ylsulfanylcyclohexan-1-ol
CID 13434052
2-diphenylphosphoryloxycyclohexan-1-ol
CID 175340118
butylsulfanyl-cyclohexyl-phenyl-sulfanylidene-λ5-phosphane
CID 21391655
(1R)-2-methylsulfanylcyclohexan-1-ol
CID 130694561
N-cyclohexyl-1-diphenylphosphinothioylformamide
CID 132535100
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
CID 102735724
2-thiophen-2-ylsulfanylcyclohexan-1-ol
CID 60878226
[1-cyclopentylethenyl(methyl)phosphoryl]benzene
CID 59707589
4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol
CID 67808462

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol (CID 101201910) is trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol is O[C@H]1CCCC[C@@H]1SP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol?
The InChIKey is BVDSHUVTZQLLNJ-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21OPS2/c19-17-13-7-8-14-18(17)22-20(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18-/m0/s1.
What are the key properties of trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol?
trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol has a molecular weight of 348.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-diphenylphosphinothioylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 101201910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).