2-(methylsulfanylmethyl)cyclohexan-1-ol

C8H16OS — CID 126972050

IUPAC2-(methylsulfanylmethyl)cyclohexan-1-ol
SMILESCSCC1CCCCC1O
InChIInChI=1S/C8H16OS/c1-10-6-7-4-2-3-5-8(7)9/h7-9H,2-6H2,1H3
InChIKeyXFWGFVJFCDJOIZ-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.90
Rot. Bonds2

About 2-(methylsulfanylmethyl)cyclohexan-1-ol

2-(methylsulfanylmethyl)cyclohexan-1-ol (PubChem CID 126972050) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)cyclohexan-1-ol
PubChem CID126972050
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(methylsulfanylmethyl)cyclohexan-1-ol
SMILESCSCC1CCCCC1O
InChIInChI=1S/C8H16OS/c1-10-6-7-4-2-3-5-8(7)9/h7-9H,2-6H2,1H3
InChIKeyXFWGFVJFCDJOIZ-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Bis(methylthiomethyl)cyclohexan-1-ol
CID 129773590
cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol
CID 135038715
3-[(Methylsulfanyl)methyl]hexan-2-ol
CID 138402886
3-Fluoro-4-(thian-3-yl)butan-2-ol
CID 105446587
3-Fluoro-4-(thian-4-yl)butan-2-ol
CID 105446588
1-Tert-butylsulfanyl-3-(3,3-difluorocyclohexyl)propan-2-ol
CID 114224697
1-(3,3-Difluorocyclohexyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 114224698
2-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
CID 116617339
1-Cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol
CID 10978417
Bljiivbyghcvjb-hosydedbsa-
CID 14383835
Bljiivbyghcvjb-jbldhepksa-
CID 21725923
methyl (3R,4R)-4-cyclohexyl-3-hydroxypentanedithioate
CID 21727024

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)cyclohexan-1-ol?
The IUPAC name of 2-(methylsulfanylmethyl)cyclohexan-1-ol (CID 126972050) is 2-(methylsulfanylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(methylsulfanylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(methylsulfanylmethyl)cyclohexan-1-ol is CSCC1CCCCC1O.
What is the InChIKey of 2-(methylsulfanylmethyl)cyclohexan-1-ol?
The InChIKey is XFWGFVJFCDJOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-10-6-7-4-2-3-5-8(7)9/h7-9H,2-6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)cyclohexan-1-ol?
2-(methylsulfanylmethyl)cyclohexan-1-ol has a molecular weight of 160.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 126972050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).