(E)-6-sulfanylhex-3-en-1-ol

C6H12OS — CID 130131485

IUPAC(E)-6-sulfanylhex-3-en-1-ol
SMILESOCC/C=C/CCS
InChIInChI=1S/C6H12OS/c7-5-3-1-2-4-6-8/h1-2,7-8H,3-6H2/b2-1+
InChIKeyKBDZDBWFJTWBBL-OWOJBTEDSA-N
MW132.23 g/mol
LogP1.24
Rot. Bonds4

About (E)-6-sulfanylhex-3-en-1-ol

(E)-6-sulfanylhex-3-en-1-ol (PubChem CID 130131485) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-6-sulfanylhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-6-sulfanylhex-3-en-1-ol
PubChem CID130131485
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-6-sulfanylhex-3-en-1-ol
SMILESOCC/C=C/CCS
InChIInChI=1S/C6H12OS/c7-5-3-1-2-4-6-8/h1-2,7-8H,3-6H2/b2-1+
InChIKeyKBDZDBWFJTWBBL-OWOJBTEDSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydro-2-thiophenemethanol
CID 12589175
2-Hydroxymethyl-5-methyl-2,5-dihydrothiophene
CID 12589177
(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol
CID 11040823
(E)-4-sulfanylbut-3-en-1-ol
CID 21555217
2-Mercapto-3-buten-1-ol
CID 57162949
4-Sulfanylbut-3-en-1-ol
CID 73795969
1-Sulfanylbut-3-en-1-ol
CID 88502541
2-Sulfanylhexa-3,5-dien-1-ol
CID 88653745
(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol
CID 89074756
2-(Disulfanyl)but-3-en-1-ol
CID 89225725
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
CID 89366187
1-Sulfanylpent-3-en-1-ol
CID 91592280

Frequently Asked Questions

What is the IUPAC name of (E)-6-sulfanylhex-3-en-1-ol?
The IUPAC name of (E)-6-sulfanylhex-3-en-1-ol (CID 130131485) is (E)-6-sulfanylhex-3-en-1-ol.
What is the SMILES notation for (E)-6-sulfanylhex-3-en-1-ol?
The canonical SMILES for (E)-6-sulfanylhex-3-en-1-ol is OCC/C=C/CCS.
What is the InChIKey of (E)-6-sulfanylhex-3-en-1-ol?
The InChIKey is KBDZDBWFJTWBBL-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H12OS/c7-5-3-1-2-4-6-8/h1-2,7-8H,3-6H2/b2-1+.
What are the key properties of (E)-6-sulfanylhex-3-en-1-ol?
(E)-6-sulfanylhex-3-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-sulfanylhex-3-en-1-ol is sourced from PubChem (CID 130131485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).