(3-methylcyclohexyl)oxysulfanylbenzene

C13H18OS — CID 142166660

IUPAC(3-methylcyclohexyl)oxysulfanylbenzene
SMILESCC1CCCC(OSc2ccccc2)C1
InChIInChI=1S/C13H18OS/c1-11-6-5-7-12(10-11)14-15-13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3
InChIKeyRLXCLPFWVAWTND-UHFFFAOYSA-N
MW222.35 g/mol
LogP4.29
Rot. Bonds3

About (3-methylcyclohexyl)oxysulfanylbenzene

(3-methylcyclohexyl)oxysulfanylbenzene (PubChem CID 142166660) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is (3-methylcyclohexyl)oxysulfanylbenzene.

Molecular Properties

Compound Name(3-methylcyclohexyl)oxysulfanylbenzene
PubChem CID142166660
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name(3-methylcyclohexyl)oxysulfanylbenzene
SMILESCC1CCCC(OSc2ccccc2)C1
InChIInChI=1S/C13H18OS/c1-11-6-5-7-12(10-11)14-15-13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3
InChIKeyRLXCLPFWVAWTND-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methylcyclohexyl) 2-phenoxyacetate
CID 78838655
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
benzene;cis-(1R,3S)-1,3-dimethylcyclohexane;ethane;methane
CID 158573077
[(1S)-3-methylcyclohexyl] (2S)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 166716125
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
CID 65014994
(3-methylcyclobutyl)oxybenzene
CID 126670705
(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)oxysulfanylbenzene?
The IUPAC name of (3-methylcyclohexyl)oxysulfanylbenzene (CID 142166660) is (3-methylcyclohexyl)oxysulfanylbenzene.
What is the SMILES notation for (3-methylcyclohexyl)oxysulfanylbenzene?
The canonical SMILES for (3-methylcyclohexyl)oxysulfanylbenzene is CC1CCCC(OSc2ccccc2)C1.
What is the InChIKey of (3-methylcyclohexyl)oxysulfanylbenzene?
The InChIKey is RLXCLPFWVAWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-11-6-5-7-12(10-11)14-15-13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3.
What are the key properties of (3-methylcyclohexyl)oxysulfanylbenzene?
(3-methylcyclohexyl)oxysulfanylbenzene has a molecular weight of 222.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)oxysulfanylbenzene is sourced from PubChem (CID 142166660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).