3-methyl-6-sulfanylhexan-1-ol

C7H16OS — CID 87063689

IUPAC3-methyl-6-sulfanylhexan-1-ol
SMILESCC(CCO)CCCS
InChIInChI=1S/C7H16OS/c1-7(4-5-8)3-2-6-9/h7-9H,2-6H2,1H3
InChIKeyOSRZCQSLJIZASX-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.71
Rot. Bonds5

About 3-methyl-6-sulfanylhexan-1-ol

3-methyl-6-sulfanylhexan-1-ol (PubChem CID 87063689) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 3-methyl-6-sulfanylhexan-1-ol.

Molecular Properties

Compound Name3-methyl-6-sulfanylhexan-1-ol
PubChem CID87063689
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name3-methyl-6-sulfanylhexan-1-ol
SMILESCC(CCO)CCCS
InChIInChI=1S/C7H16OS/c1-7(4-5-8)3-2-6-9/h7-9H,2-6H2,1H3
InChIKeyOSRZCQSLJIZASX-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyloctan-1-ol
CID 7792
3,7-dimethyloctan-1-ol;ethanol
CID 175190567
3,7,11,15,18,22,26-heptamethylhentriacontane-1,30-diol
CID 163028107
3-methyldecane-1,10-diol
CID 22596513
(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
CID 71733863
tris(3,7-dimethyloctan-1-ol);oxotungsten
CID 11181447
8,12-dimethylicosane-1,20-diol
CID 170848864
(3S)-7-chloro-3-methylheptan-1-ol
CID 139766847
(3S)-3-methylnonacosan-1-ol
CID 10836783
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-sulfanylhexan-1-ol?
The IUPAC name of 3-methyl-6-sulfanylhexan-1-ol (CID 87063689) is 3-methyl-6-sulfanylhexan-1-ol.
What is the SMILES notation for 3-methyl-6-sulfanylhexan-1-ol?
The canonical SMILES for 3-methyl-6-sulfanylhexan-1-ol is CC(CCO)CCCS.
What is the InChIKey of 3-methyl-6-sulfanylhexan-1-ol?
The InChIKey is OSRZCQSLJIZASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-7(4-5-8)3-2-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyl-6-sulfanylhexan-1-ol?
3-methyl-6-sulfanylhexan-1-ol has a molecular weight of 148.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-sulfanylhexan-1-ol is sourced from PubChem (CID 87063689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).