1,2-bis(ethylsulfanylmethyl)cyclohexane

C12H24S2 — CID 69353267

IUPAC1,2-bis(ethylsulfanylmethyl)cyclohexane
SMILESCCSCC1CCCCC1CSCC
InChIInChI=1S/C12H24S2/c1-3-13-9-11-7-5-6-8-12(11)10-14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyQDRVMTPYGVHUKV-UHFFFAOYSA-N
MW232.46 g/mol
LogP4.30
Rot. Bonds6

About 1,2-bis(ethylsulfanylmethyl)cyclohexane

1,2-bis(ethylsulfanylmethyl)cyclohexane (PubChem CID 69353267) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is 1,2-bis(ethylsulfanylmethyl)cyclohexane.

Molecular Properties

Compound Name1,2-bis(ethylsulfanylmethyl)cyclohexane
PubChem CID69353267
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Name1,2-bis(ethylsulfanylmethyl)cyclohexane
SMILESCCSCC1CCCCC1CSCC
InChIInChI=1S/C12H24S2/c1-3-13-9-11-7-5-6-8-12(11)10-14-4-2/h11-12H,3-10H2,1-2H3
InChIKeyQDRVMTPYGVHUKV-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
CID 160611346
CID 160611346
2-ethylsulfanylethylcyclohexane
CID 89032228
(3S,4R)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545349
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine
CID 67721034
1-cycloheptyl-2-ethylsulfanylethanol
CID 82931500
3-(ethylsulfanylmethyl)oxolane
CID 130928771
2-[[3-ethylsulfanylpropyl(methyl)amino]methyl]cyclohexan-1-ol
CID 115968519
ethylsulfanylcycloheptane
CID 67666697
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
1-methyl-2-prop-2-enylcyclohexane
CID 15643404

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethylsulfanylmethyl)cyclohexane?
The IUPAC name of 1,2-bis(ethylsulfanylmethyl)cyclohexane (CID 69353267) is 1,2-bis(ethylsulfanylmethyl)cyclohexane.
What is the SMILES notation for 1,2-bis(ethylsulfanylmethyl)cyclohexane?
The canonical SMILES for 1,2-bis(ethylsulfanylmethyl)cyclohexane is CCSCC1CCCCC1CSCC.
What is the InChIKey of 1,2-bis(ethylsulfanylmethyl)cyclohexane?
The InChIKey is QDRVMTPYGVHUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S2/c1-3-13-9-11-7-5-6-8-12(11)10-14-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,2-bis(ethylsulfanylmethyl)cyclohexane?
1,2-bis(ethylsulfanylmethyl)cyclohexane has a molecular weight of 232.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethylsulfanylmethyl)cyclohexane is sourced from PubChem (CID 69353267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).