(E)-3-sulfanylhex-1-en-1-ol

C6H12OS — CID 118395333

IUPAC(E)-3-sulfanylhex-1-en-1-ol
SMILESCCCC(S)/C=C/O
InChIInChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h4-8H,2-3H2,1H3/b5-4+
InChIKeyYAXGLUBLHCYMAV-SNAWJCMRSA-N
MW132.23 g/mol
LogP2.16
Rot. Bonds3

About (E)-3-sulfanylhex-1-en-1-ol

(E)-3-sulfanylhex-1-en-1-ol (PubChem CID 118395333) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-3-sulfanylhex-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-sulfanylhex-1-en-1-ol
PubChem CID118395333
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-3-sulfanylhex-1-en-1-ol
SMILESCCCC(S)/C=C/O
InChIInChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h4-8H,2-3H2,1H3/b5-4+
InChIKeyYAXGLUBLHCYMAV-SNAWJCMRSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (E)-3-sulfanylhex-1-en-1-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 (E)-3-sulfanylhex-1-en-1-ol?
The IUPAC name of (E)-3-sulfanylhex-1-en-1-ol (CID 118395333) is (E)-3-sulfanylhex-1-en-1-ol.
What is the SMILES notation for (E)-3-sulfanylhex-1-en-1-ol?
The canonical SMILES for (E)-3-sulfanylhex-1-en-1-ol is CCCC(S)/C=C/O.
What is the InChIKey of (E)-3-sulfanylhex-1-en-1-ol?
The InChIKey is YAXGLUBLHCYMAV-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h4-8H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-3-sulfanylhex-1-en-1-ol?
(E)-3-sulfanylhex-1-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-sulfanylhex-1-en-1-ol is sourced from PubChem (CID 118395333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).