(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol

C8H18OS — CID 124931968

IUPAC(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol
SMILESCC[C@@H](CO)[C@H](S)C(C)C
InChIInChI=1S/C8H18OS/c1-4-7(5-9)8(10)6(2)3/h6-10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyXVJIAUDYSLDICO-JGVFFNPUSA-N
MW162.30 g/mol
LogP1.96
Rot. Bonds4

About (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol

(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol (PubChem CID 124931968) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol
PubChem CID124931968
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol
SMILESCC[C@@H](CO)[C@H](S)C(C)C
InChIInChI=1S/C8H18OS/c1-4-7(5-9)8(10)6(2)3/h6-10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyXVJIAUDYSLDICO-JGVFFNPUSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 51.96
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

4-ethyl-2-methylheptane-3-thiol
CID 123793265
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
2-ethyl-4-propan-2-ylpentane-1,3,5-triol
CID 118683289
2,3-diethyl-4-methylpentane-1,5-diol
CID 18956830
2-ethyl-3-methylhexane-1,5-diol
CID 137353593
2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 90222237
3-amino-2-ethyl-5-methylhexan-1-ol
CID 116945255
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
2-ethyl-5-sulfanylpentane-1,3-diol
CID 57078966
3-(dimethylamino)-2-ethylpentan-1-ol
CID 116913191
4-ethyl-5-methylhexan-1-ol
CID 87192920

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol?
The IUPAC name of (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol (CID 124931968) is (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol.
What is the SMILES notation for (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol?
The canonical SMILES for (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol is CC[C@@H](CO)[C@H](S)C(C)C.
What is the InChIKey of (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol?
The InChIKey is XVJIAUDYSLDICO-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H18OS/c1-4-7(5-9)8(10)6(2)3/h6-10H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol?
(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol is sourced from PubChem (CID 124931968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).