3-(methylsulfanylmethyl)hexan-2-ol

C8H18OS — CID 138402886

IUPAC3-(methylsulfanylmethyl)hexan-2-ol
SMILESCCCC(CSC)C(C)O
InChIInChI=1S/C8H18OS/c1-4-5-8(6-10-3)7(2)9/h7-9H,4-6H2,1-3H3
InChIKeyZDOJCBGAIAZSSL-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.15
Rot. Bonds5

About 3-(methylsulfanylmethyl)hexan-2-ol

3-(methylsulfanylmethyl)hexan-2-ol (PubChem CID 138402886) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)hexan-2-ol.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)hexan-2-ol
PubChem CID138402886
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name3-(methylsulfanylmethyl)hexan-2-ol
SMILESCCCC(CSC)C(C)O
InChIInChI=1S/C8H18OS/c1-4-5-8(6-10-3)7(2)9/h7-9H,4-6H2,1-3H3
InChIKeyZDOJCBGAIAZSSL-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
3-[2-(Methylsulfanyl)ethyl]cyclobutan-1-ol
CID 155820741
1-(Butylsulfanyl)hexan-2-ol
CID 14094711
1-(Ethylsulfanyl)hexan-2-ol
CID 65131215
(4S)-4-ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129153599
4-Ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129154393
2-Hexanol, 1-tert-butylthio-
CID 545336
1-Propylthiohexan-2-ol
CID 65130132
2-(Methylthiomethyl)cyclohexan-1-ol
CID 126972050
2-((Methylthio)methyl)cyclopentanol
CID 129773586
1-Fluoro-1-(thian-4-yl)propan-2-ol
CID 105437759
4-(2-Fluoropropyl)thian-3-ol
CID 115015265

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)hexan-2-ol?
The IUPAC name of 3-(methylsulfanylmethyl)hexan-2-ol (CID 138402886) is 3-(methylsulfanylmethyl)hexan-2-ol.
What is the SMILES notation for 3-(methylsulfanylmethyl)hexan-2-ol?
The canonical SMILES for 3-(methylsulfanylmethyl)hexan-2-ol is CCCC(CSC)C(C)O.
What is the InChIKey of 3-(methylsulfanylmethyl)hexan-2-ol?
The InChIKey is ZDOJCBGAIAZSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-4-5-8(6-10-3)7(2)9/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(methylsulfanylmethyl)hexan-2-ol?
3-(methylsulfanylmethyl)hexan-2-ol has a molecular weight of 162.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)hexan-2-ol is sourced from PubChem (CID 138402886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).