ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane

C8H15O2PS2 — CID 88599545

IUPACethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESC#C[C@H](CCC)SP(O)(=S)OCC
InChIInChI=1S/C8H15O2PS2/c1-4-7-8(5-2)13-11(9,12)10-6-3/h2,8H,4,6-7H2,1,3H3,(H,9,12)/t8-,11?/m1/s1
InChIKeyRBZWIQRYHUGMHQ-RZZZFEHKSA-N
MW238.31 g/mol
LogP2.77
Rot. Bonds6

About ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane

ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 88599545) has the molecular formula C8H15O2PS2 and a molecular weight of 238.31 g/mol. Its IUPAC name is ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID88599545
Molecular FormulaC8H15O2PS2
Molecular Weight238.31 g/mol
Exact Mass238.03
IUPAC Nameethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESC#C[C@H](CCC)SP(O)(=S)OCC
InChIInChI=1S/C8H15O2PS2/c1-4-7-8(5-2)13-11(9,12)10-6-3/h2,8H,4,6-7H2,1,3H3,(H,9,12)/t8-,11?/m1/s1
InChIKeyRBZWIQRYHUGMHQ-RZZZFEHKSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane (CID 88599545) is ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane is C#C[C@H](CCC)SP(O)(=S)OCC.
What is the InChIKey of ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is RBZWIQRYHUGMHQ-RZZZFEHKSA-N. The full InChI is InChI=1S/C8H15O2PS2/c1-4-7-8(5-2)13-11(9,12)10-6-3/h2,8H,4,6-7H2,1,3H3,(H,9,12)/t8-,11?/m1/s1.
What are the key properties of ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 238.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88599545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).