(2S)-4-methyl-4-sulfanylpentan-2-ol

C6H14OS — CID 56624650

IUPAC(2S)-4-methyl-4-sulfanylpentan-2-ol
SMILESC[C@H](O)CC(C)(C)S
InChIInChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChIKeyFDBQLLMYSACLPB-YFKPBYRVSA-N
MW134.24 g/mol
LogP1.47
Rot. Bonds2

About (2S)-4-methyl-4-sulfanylpentan-2-ol

(2S)-4-methyl-4-sulfanylpentan-2-ol (PubChem CID 56624650) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is (2S)-4-methyl-4-sulfanylpentan-2-ol.

Molecular Properties

Compound Name(2S)-4-methyl-4-sulfanylpentan-2-ol
PubChem CID56624650
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name(2S)-4-methyl-4-sulfanylpentan-2-ol
SMILESC[C@H](O)CC(C)(C)S
InChIInChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChIKeyFDBQLLMYSACLPB-YFKPBYRVSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

3-Mercapto-3-methyl-1-butanol
CID 520682
4-Mercapto-4-methyl-2-pentanol, (+-)-
CID 6429308
2-Mercapto-2-methylpentan-1-ol
CID 11240503
2-Ethyl-2-sulfanylbutan-1-ol
CID 57395627
4-Mercapto-4-methyl-1-pentanol
CID 54059913
3-Mercapto-3-methylbutan-1-ol-d6
CID 131668435
(2R)-4-methyl-4-sulfanylpentan-2-ol
CID 11286488
2-Methyl-2-sulfanylbutan-1-ol
CID 11839185
4-Methyl-1-sulfanylpentan-2-ol
CID 14249196
3-Methyl-3-sulfanylbutan-2-ol
CID 14950172
2-Hydroxy-4-methylpentane-3-thione
CID 53666326
4-Methyl-5-sulfanylpentan-2-ol
CID 54007604

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-4-sulfanylpentan-2-ol?
The IUPAC name of (2S)-4-methyl-4-sulfanylpentan-2-ol (CID 56624650) is (2S)-4-methyl-4-sulfanylpentan-2-ol.
What is the SMILES notation for (2S)-4-methyl-4-sulfanylpentan-2-ol?
The canonical SMILES for (2S)-4-methyl-4-sulfanylpentan-2-ol is C[C@H](O)CC(C)(C)S.
What is the InChIKey of (2S)-4-methyl-4-sulfanylpentan-2-ol?
The InChIKey is FDBQLLMYSACLPB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-4-methyl-4-sulfanylpentan-2-ol?
(2S)-4-methyl-4-sulfanylpentan-2-ol has a molecular weight of 134.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-4-sulfanylpentan-2-ol is sourced from PubChem (CID 56624650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).