(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol

C10H18S — CID 59062062

IUPAC(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1S
InChIInChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
InChIKeyIRNNXJCGSKQGCE-UTLUCORTSA-N
MW170.32 g/mol
LogP3.30
Rot. Bonds1

About (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol

(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol (PubChem CID 59062062) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol.

Molecular Properties

Compound Name(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
PubChem CID59062062
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1S
InChIInChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
InChIKeyIRNNXJCGSKQGCE-UTLUCORTSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
The IUPAC name of (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol (CID 59062062) is (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol.
What is the SMILES notation for (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
The canonical SMILES for (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol is C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1S.
What is the InChIKey of (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
The InChIKey is IRNNXJCGSKQGCE-UTLUCORTSA-N. The full InChI is InChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1.
What are the key properties of (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol is sourced from PubChem (CID 59062062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).