6-sulfanylhex-1-en-1-ol

C6H12OS — CID 146015281

IUPAC6-sulfanylhex-1-en-1-ol
SMILESOC=CCCCCS
InChIInChI=1S/C6H12OS/c7-5-3-1-2-4-6-8/h3,5,7-8H,1-2,4,6H2
InChIKeyYNAKNHAVDXULEB-UHFFFAOYSA-N
MW132.23 g/mol
LogP2.16
Rot. Bonds4

About 6-sulfanylhex-1-en-1-ol

6-sulfanylhex-1-en-1-ol (PubChem CID 146015281) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 6-sulfanylhex-1-en-1-ol.

Molecular Properties

Compound Name6-sulfanylhex-1-en-1-ol
PubChem CID146015281
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name6-sulfanylhex-1-en-1-ol
SMILESOC=CCCCCS
InChIInChI=1S/C6H12OS/c7-5-3-1-2-4-6-8/h3,5,7-8H,1-2,4,6H2
InChIKeyYNAKNHAVDXULEB-UHFFFAOYSA-N
XLogP2.16
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 ≤ 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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Ethanol, 2-mercapto-, reaction products with 1,5-hexadiene
CID 91808893
Ethanol, 2-mercapto-, reaction products with 1-hexene
CID 91808894
3-Mercaptohexenol
CID 129843982
1-Sulfanylhex-5-en-2-ol
CID 14249195
(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-Sulfanylpent-4-en-1-ol
CID 87522201
1-Sulfanylbut-3-en-1-ol
CID 88502541
2-Sulfanylpent-4-en-1-ol
CID 88814550
2,3-Bis(sulfanyl)pent-4-en-1-ol
CID 90858842
(E)-3-sulfanylhex-1-en-1-ol
CID 118395333

Frequently Asked Questions

What is the IUPAC name of 6-sulfanylhex-1-en-1-ol?
The IUPAC name of 6-sulfanylhex-1-en-1-ol (CID 146015281) is 6-sulfanylhex-1-en-1-ol.
What is the SMILES notation for 6-sulfanylhex-1-en-1-ol?
The canonical SMILES for 6-sulfanylhex-1-en-1-ol is OC=CCCCCS.
What is the InChIKey of 6-sulfanylhex-1-en-1-ol?
The InChIKey is YNAKNHAVDXULEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c7-5-3-1-2-4-6-8/h3,5,7-8H,1-2,4,6H2.
What are the key properties of 6-sulfanylhex-1-en-1-ol?
6-sulfanylhex-1-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylhex-1-en-1-ol is sourced from PubChem (CID 146015281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).