1-tert-butyl-4-ethylsulfanylcyclohexane

C12H24S — CID 14890761

IUPAC1-tert-butyl-4-ethylsulfanylcyclohexane
SMILESCCSC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24S/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyMRHNEZLURYZMBH-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.34
Rot. Bonds2

About 1-tert-butyl-4-ethylsulfanylcyclohexane

1-tert-butyl-4-ethylsulfanylcyclohexane (PubChem CID 14890761) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylsulfanylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-ethylsulfanylcyclohexane
PubChem CID14890761
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name1-tert-butyl-4-ethylsulfanylcyclohexane
SMILESCCSC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24S/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyMRHNEZLURYZMBH-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-Tert-butyl-1,4-dithiaspiro[4.5]decane
CID 12616133
1-Tert-butyl-4-methylsulfanylcyclohexane
CID 12627267
1-Tert-butyl-4-butylsulfanylcyclohexane
CID 89814472
1-Fluoro-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclohexane
CID 71173731
4-Tert-butyl-1,1-bis(ethylsulfanyl)cyclohexane
CID 13927498
1-Tert-butyl-4-(trifluoromethylsulfanyl)cyclohexane
CID 132524327
[2-(Heptylthio)ethyl]cyclohexane
CID 557257
1-Tert-butyl-4-methylsulfinylcyclohexane
CID 21678229
9-Tert-butyl-1,5-dithiaspiro[5.5]undecane
CID 10999291
4-Tert-butylcyclohexane-1-thiol
CID 12627261
1-Tert-butyl-4-propylsulfanylcyclohexane
CID 14890763
4-(2,4,4-Trimethylpentan-2-yl)cyclohexane-1-thiol
CID 17818964

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylsulfanylcyclohexane?
The IUPAC name of 1-tert-butyl-4-ethylsulfanylcyclohexane (CID 14890761) is 1-tert-butyl-4-ethylsulfanylcyclohexane.
What is the SMILES notation for 1-tert-butyl-4-ethylsulfanylcyclohexane?
The canonical SMILES for 1-tert-butyl-4-ethylsulfanylcyclohexane is CCSC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethylsulfanylcyclohexane?
The InChIKey is MRHNEZLURYZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethylsulfanylcyclohexane?
1-tert-butyl-4-ethylsulfanylcyclohexane has a molecular weight of 200.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylsulfanylcyclohexane is sourced from PubChem (CID 14890761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).