hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane

C8H11OPS2 — CID 88652076

IUPAChydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane
SMILESC[C@@H](c1ccccc1)P(O)(=S)S
InChIInChI=1S/C8H11OPS2/c1-7(10(9,11)12)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,11,12)/t7-/m0/s1
InChIKeyXUDJTPMAZQJERJ-ZETCQYMHSA-N
MW218.28 g/mol
LogP2.98
Rot. Bonds2

About hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane

hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 88652076) has the molecular formula C8H11OPS2 and a molecular weight of 218.28 g/mol. Its IUPAC name is hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID88652076
Molecular FormulaC8H11OPS2
Molecular Weight218.28 g/mol
Exact Mass218.00
IUPAC Namehydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane
SMILESC[C@@H](c1ccccc1)P(O)(=S)S
InChIInChI=1S/C8H11OPS2/c1-7(10(9,11)12)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,11,12)/t7-/m0/s1
InChIKeyXUDJTPMAZQJERJ-ZETCQYMHSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
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

[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
cumene;hydrogen peroxide
CID 21225480
2-[hydroxy(sulfanyl)phosphinothioyl]oxy-N,N-dimethyl-2-phenylethanamine
CID 18978336
(1S)-1-phenylethanol
CID 157125626
cumene;methanethiol
CID 170640582
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 142851428
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
1-phenylethanethiol;hydrobromide
CID 173223511
azane;(1R)-1-phenylethanol
CID 126646564

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane (CID 88652076) is hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane is C[C@@H](c1ccccc1)P(O)(=S)S.
What is the InChIKey of hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is XUDJTPMAZQJERJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11OPS2/c1-7(10(9,11)12)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,11,12)/t7-/m0/s1.
What are the key properties of hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane?
hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 218.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88652076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).