(3S)-1-prop-2-enylsulfanylpentan-3-ol

C8H16OS — CID 154708779

IUPAC(3S)-1-prop-2-enylsulfanylpentan-3-ol
SMILESC=CCSCC[C@@H](O)CC
InChIInChI=1S/C8H16OS/c1-3-6-10-7-5-8(9)4-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyPVTUMCKYPMWHSD-QMMMGPOBSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds6

About (3S)-1-prop-2-enylsulfanylpentan-3-ol

(3S)-1-prop-2-enylsulfanylpentan-3-ol (PubChem CID 154708779) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (3S)-1-prop-2-enylsulfanylpentan-3-ol.

Molecular Properties

Compound Name(3S)-1-prop-2-enylsulfanylpentan-3-ol
PubChem CID154708779
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(3S)-1-prop-2-enylsulfanylpentan-3-ol
SMILESC=CCSCC[C@@H](O)CC
InChIInChI=1S/C8H16OS/c1-3-6-10-7-5-8(9)4-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyPVTUMCKYPMWHSD-QMMMGPOBSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-1-prop-2-enylsulfanylpentan-3-ol 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 (3S)-1-prop-2-enylsulfanylpentan-3-ol?
The IUPAC name of (3S)-1-prop-2-enylsulfanylpentan-3-ol (CID 154708779) is (3S)-1-prop-2-enylsulfanylpentan-3-ol.
What is the SMILES notation for (3S)-1-prop-2-enylsulfanylpentan-3-ol?
The canonical SMILES for (3S)-1-prop-2-enylsulfanylpentan-3-ol is C=CCSCC[C@@H](O)CC.
What is the InChIKey of (3S)-1-prop-2-enylsulfanylpentan-3-ol?
The InChIKey is PVTUMCKYPMWHSD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-6-10-7-5-8(9)4-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (3S)-1-prop-2-enylsulfanylpentan-3-ol?
(3S)-1-prop-2-enylsulfanylpentan-3-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-prop-2-enylsulfanylpentan-3-ol is sourced from PubChem (CID 154708779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).