3-(4-methylcyclohexyl)propane-1-thiol

C10H20S — CID 139295204

IUPAC3-(4-methylcyclohexyl)propane-1-thiol
SMILESCC1CCC(CCCS)CC1
InChIInChI=1S/C10H20S/c1-9-4-6-10(7-5-9)3-2-8-11/h9-11H,2-8H2,1H3
InChIKeyHDGHMAHYDUITNS-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.52
Rot. Bonds3

About 3-(4-methylcyclohexyl)propane-1-thiol

3-(4-methylcyclohexyl)propane-1-thiol (PubChem CID 139295204) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)propane-1-thiol.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)propane-1-thiol
PubChem CID139295204
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name3-(4-methylcyclohexyl)propane-1-thiol
SMILESCC1CCC(CCCS)CC1
InChIInChI=1S/C10H20S/c1-9-4-6-10(7-5-9)3-2-8-11/h9-11H,2-8H2,1H3
InChIKeyHDGHMAHYDUITNS-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.52
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-(3-fluoropropyl)-4-methylcyclohexane
CID 166888842
1-(3-chloropropyl)-4-methylcyclohexane
CID 64775932
1-butyl-4-methylcyclooctane
CID 123623113
1-methyl-4-pentylcycloheptane
CID 123318058
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840
hexane;pentylcyclopropane
CID 159592467
dimethoxy-[3-(4-methylcyclohexyl)propyl]silane
CID 154017104
CID 20632302
CID 20632302
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)propane-1-thiol?
The IUPAC name of 3-(4-methylcyclohexyl)propane-1-thiol (CID 139295204) is 3-(4-methylcyclohexyl)propane-1-thiol.
What is the SMILES notation for 3-(4-methylcyclohexyl)propane-1-thiol?
The canonical SMILES for 3-(4-methylcyclohexyl)propane-1-thiol is CC1CCC(CCCS)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)propane-1-thiol?
The InChIKey is HDGHMAHYDUITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-9-4-6-10(7-5-9)3-2-8-11/h9-11H,2-8H2,1H3.
What are the key properties of 3-(4-methylcyclohexyl)propane-1-thiol?
3-(4-methylcyclohexyl)propane-1-thiol has a molecular weight of 172.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)propane-1-thiol is sourced from PubChem (CID 139295204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).