ethane;1-propan-2-ylcyclohexane-1-thiol

C11H24S — CID 144560520

IUPACethane;1-propan-2-ylcyclohexane-1-thiol
SMILESCC.CC(C)C1(S)CCCCC1
InChIInChI=1S/C9H18S.C2H6/c1-8(2)9(10)6-4-3-5-7-9;1-2/h8,10H,3-7H2,1-2H3;1-2H3
InChIKeyHVNICOVWFDUPNH-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.30
Rot. Bonds1

About ethane;1-propan-2-ylcyclohexane-1-thiol

ethane;1-propan-2-ylcyclohexane-1-thiol (PubChem CID 144560520) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is ethane;1-propan-2-ylcyclohexane-1-thiol.

Molecular Properties

Compound Nameethane;1-propan-2-ylcyclohexane-1-thiol
PubChem CID144560520
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Nameethane;1-propan-2-ylcyclohexane-1-thiol
SMILESCC.CC(C)C1(S)CCCCC1
InChIInChI=1S/C9H18S.C2H6/c1-8(2)9(10)6-4-3-5-7-9;1-2/h8,10H,3-7H2,1-2H3;1-2H3
InChIKeyHVNICOVWFDUPNH-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-di(propan-2-yl)cycloheptane
CID 23589303
1-butan-2-ylcyclohexane-1-thiol
CID 19850363
1-(1-propan-2-ylcyclohexyl)ethanol
CID 69271038
1-[1-(1-hydroxyethyl)cyclohexyl]ethanol
CID 19424468
3,3-di(propan-2-yl)azepane
CID 58609824
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
CID 174666589
10-propan-2-ylspiro[4.5]decan-10-ol
CID 130592861
1,10-di(propan-2-yl)-11-azabicyclo[8.1.1]dodecane
CID 134467071
1,1-di(butan-2-yl)cycloheptane
CID 91149690
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylcyclohexane-1-thiol?
The IUPAC name of ethane;1-propan-2-ylcyclohexane-1-thiol (CID 144560520) is ethane;1-propan-2-ylcyclohexane-1-thiol.
What is the SMILES notation for ethane;1-propan-2-ylcyclohexane-1-thiol?
The canonical SMILES for ethane;1-propan-2-ylcyclohexane-1-thiol is CC.CC(C)C1(S)CCCCC1.
What is the InChIKey of ethane;1-propan-2-ylcyclohexane-1-thiol?
The InChIKey is HVNICOVWFDUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S.C2H6/c1-8(2)9(10)6-4-3-5-7-9;1-2/h8,10H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-ylcyclohexane-1-thiol?
ethane;1-propan-2-ylcyclohexane-1-thiol has a molecular weight of 188.38 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylcyclohexane-1-thiol is sourced from PubChem (CID 144560520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).