2-methyl-1-sulfanylpentan-1-ol

C6H14OS — CID 154061587

IUPAC2-methyl-1-sulfanylpentan-1-ol
SMILESCCCC(C)C(O)S
InChIInChI=1S/C6H14OS/c1-3-4-5(2)6(7)8/h5-8H,3-4H2,1-2H3
InChIKeyBMIYDUVRZHOKQE-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-1-sulfanylpentan-1-ol

2-methyl-1-sulfanylpentan-1-ol (PubChem CID 154061587) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-methyl-1-sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-sulfanylpentan-1-ol
PubChem CID154061587
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-methyl-1-sulfanylpentan-1-ol
SMILESCCCC(C)C(O)S
InChIInChI=1S/C6H14OS/c1-3-4-5(2)6(7)8/h5-8H,3-4H2,1-2H3
InChIKeyBMIYDUVRZHOKQE-UHFFFAOYSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methylhexan-2-ol
CID 88692749
4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963
(4R)-4-methylheptan-3-ol
CID 12799251
3-hydroxy-4-methylheptan-2-one
CID 45085736
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
butane;bis(1-sulfanylbutan-1-ol)
CID 88805190
(2R)-pentan-2-ol
CID 7014876
1-amino-4,5-dimethyloctan-1-ol
CID 88903955
2,4,6-trimethylnonan-5-ol
CID 156689482
(3R)-3,4-dimethylheptane
CID 59819300
2-hydroxy-3-methylhexanamide
CID 62226604
1-(dimethylamino)-3-methylhexan-2-ol
CID 107892980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-sulfanylpentan-1-ol?
The IUPAC name of 2-methyl-1-sulfanylpentan-1-ol (CID 154061587) is 2-methyl-1-sulfanylpentan-1-ol.
What is the SMILES notation for 2-methyl-1-sulfanylpentan-1-ol?
The canonical SMILES for 2-methyl-1-sulfanylpentan-1-ol is CCCC(C)C(O)S.
What is the InChIKey of 2-methyl-1-sulfanylpentan-1-ol?
The InChIKey is BMIYDUVRZHOKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-3-4-5(2)6(7)8/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-sulfanylpentan-1-ol?
2-methyl-1-sulfanylpentan-1-ol has a molecular weight of 134.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-sulfanylpentan-1-ol is sourced from PubChem (CID 154061587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).