2-(3-methylcyclohexyl)sulfanylethanol

C9H18OS — CID 62722078

IUPAC2-(3-methylcyclohexyl)sulfanylethanol
SMILESCC1CCCC(SCCO)C1
InChIInChI=1S/C9H18OS/c1-8-3-2-4-9(7-8)11-6-5-10/h8-10H,2-7H2,1H3
InChIKeyPXMNCNSPPDTHTC-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-methylcyclohexyl)sulfanylethanol

2-(3-methylcyclohexyl)sulfanylethanol (PubChem CID 62722078) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfanylethanol
PubChem CID62722078
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-(3-methylcyclohexyl)sulfanylethanol
SMILESCC1CCCC(SCCO)C1
InChIInChI=1S/C9H18OS/c1-8-3-2-4-9(7-8)11-6-5-10/h8-10H,2-7H2,1H3
InChIKeyPXMNCNSPPDTHTC-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfanylethanol?
The IUPAC name of 2-(3-methylcyclohexyl)sulfanylethanol (CID 62722078) is 2-(3-methylcyclohexyl)sulfanylethanol.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfanylethanol?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfanylethanol is CC1CCCC(SCCO)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfanylethanol?
The InChIKey is PXMNCNSPPDTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8-3-2-4-9(7-8)11-6-5-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfanylethanol?
2-(3-methylcyclohexyl)sulfanylethanol has a molecular weight of 174.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfanylethanol is sourced from PubChem (CID 62722078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).