2,6-bis(methylsulfanyl)cyclohexan-1-ol

C8H16OS2 — CID 130142292

IUPAC2,6-bis(methylsulfanyl)cyclohexan-1-ol
SMILESCSC1CCCC(SC)C1O
InChIInChI=1S/C8H16OS2/c1-10-6-4-3-5-7(11-2)8(6)9/h6-9H,3-5H2,1-2H3
InChIKeyQQRPXOWIPMSFLE-UHFFFAOYSA-N
MW192.35 g/mol
LogP1.99
Rot. Bonds2

About 2,6-bis(methylsulfanyl)cyclohexan-1-ol

2,6-bis(methylsulfanyl)cyclohexan-1-ol (PubChem CID 130142292) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,6-bis(methylsulfanyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,6-bis(methylsulfanyl)cyclohexan-1-ol
PubChem CID130142292
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name2,6-bis(methylsulfanyl)cyclohexan-1-ol
SMILESCSC1CCCC(SC)C1O
InChIInChI=1S/C8H16OS2/c1-10-6-4-3-5-7(11-2)8(6)9/h6-9H,3-5H2,1-2H3
InChIKeyQQRPXOWIPMSFLE-UHFFFAOYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-methylsulfanylcyclohexan-1-ol
CID 130694561
2-methylsulfanylcyclopentane-1-thiol
CID 88978520
2-methylsulfanylcyclopropan-1-ol
CID 54469383
2-methylsulfanylcyclohexane-1-thiol
CID 88978519
trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane
CID 14113329
2-methylsulfanylcycloheptane-1-carboxylic acid
CID 63098267
2-methylsulfanyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 130637655
3-methylsulfanylcyclohexan-1-ol
CID 123410545
(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
CID 99850045
2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide
CID 96519739
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
dimethyl-(2-methylsulfanylcyclooctyl)sulfanium
CID 3879450

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methylsulfanyl)cyclohexan-1-ol?
The IUPAC name of 2,6-bis(methylsulfanyl)cyclohexan-1-ol (CID 130142292) is 2,6-bis(methylsulfanyl)cyclohexan-1-ol.
What is the SMILES notation for 2,6-bis(methylsulfanyl)cyclohexan-1-ol?
The canonical SMILES for 2,6-bis(methylsulfanyl)cyclohexan-1-ol is CSC1CCCC(SC)C1O.
What is the InChIKey of 2,6-bis(methylsulfanyl)cyclohexan-1-ol?
The InChIKey is QQRPXOWIPMSFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-10-6-4-3-5-7(11-2)8(6)9/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,6-bis(methylsulfanyl)cyclohexan-1-ol?
2,6-bis(methylsulfanyl)cyclohexan-1-ol has a molecular weight of 192.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylsulfanyl)cyclohexan-1-ol is sourced from PubChem (CID 130142292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).