(2S)-2-methyl-2-sulfanylpentan-1-ol

C6H14OS — CID 76964458

IUPAC(2S)-2-methyl-2-sulfanylpentan-1-ol
SMILESCCC[C@](C)(S)CO
InChIInChI=1S/C6H14OS/c1-3-4-6(2,8)5-7/h7-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyKMWFJTAZFAREIH-LURJTMIESA-N
MW134.24 g/mol
LogP1.47
Rot. Bonds3

About (2S)-2-methyl-2-sulfanylpentan-1-ol

(2S)-2-methyl-2-sulfanylpentan-1-ol (PubChem CID 76964458) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is (2S)-2-methyl-2-sulfanylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-2-sulfanylpentan-1-ol
PubChem CID76964458
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name(2S)-2-methyl-2-sulfanylpentan-1-ol
SMILESCCC[C@](C)(S)CO
InChIInChI=1S/C6H14OS/c1-3-4-6(2,8)5-7/h7-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyKMWFJTAZFAREIH-LURJTMIESA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-sulfanylpentan-1-ol?
The IUPAC name of (2S)-2-methyl-2-sulfanylpentan-1-ol (CID 76964458) is (2S)-2-methyl-2-sulfanylpentan-1-ol.
What is the SMILES notation for (2S)-2-methyl-2-sulfanylpentan-1-ol?
The canonical SMILES for (2S)-2-methyl-2-sulfanylpentan-1-ol is CCC[C@](C)(S)CO.
What is the InChIKey of (2S)-2-methyl-2-sulfanylpentan-1-ol?
The InChIKey is KMWFJTAZFAREIH-LURJTMIESA-N. The full InChI is InChI=1S/C6H14OS/c1-3-4-6(2,8)5-7/h7-8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-2-sulfanylpentan-1-ol?
(2S)-2-methyl-2-sulfanylpentan-1-ol has a molecular weight of 134.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-sulfanylpentan-1-ol is sourced from PubChem (CID 76964458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).