(1R)-1-methylcyclohex-2-ene-1-thiol

C7H12S — CID 11159340

IUPAC(1R)-1-methylcyclohex-2-ene-1-thiol
SMILESC[C@]1(S)C=CCCC1
InChIInChI=1S/C7H12S/c1-7(8)5-3-2-4-6-7/h3,5,8H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyHBHDOTNQFFYQJE-ZETCQYMHSA-N
MW128.24 g/mol
LogP2.41
Rot. Bonds

About (1R)-1-methylcyclohex-2-ene-1-thiol

(1R)-1-methylcyclohex-2-ene-1-thiol (PubChem CID 11159340) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (1R)-1-methylcyclohex-2-ene-1-thiol.

Molecular Properties

Compound Name(1R)-1-methylcyclohex-2-ene-1-thiol
PubChem CID11159340
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(1R)-1-methylcyclohex-2-ene-1-thiol
SMILESC[C@]1(S)C=CCCC1
InChIInChI=1S/C7H12S/c1-7(8)5-3-2-4-6-7/h3,5,8H,2,4,6H2,1H3/t7-/m0/s1
InChIKeyHBHDOTNQFFYQJE-ZETCQYMHSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.41
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methylcyclohex-2-ene-1-thiol?
The IUPAC name of (1R)-1-methylcyclohex-2-ene-1-thiol (CID 11159340) is (1R)-1-methylcyclohex-2-ene-1-thiol.
What is the SMILES notation for (1R)-1-methylcyclohex-2-ene-1-thiol?
The canonical SMILES for (1R)-1-methylcyclohex-2-ene-1-thiol is C[C@]1(S)C=CCCC1.
What is the InChIKey of (1R)-1-methylcyclohex-2-ene-1-thiol?
The InChIKey is HBHDOTNQFFYQJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12S/c1-7(8)5-3-2-4-6-7/h3,5,8H,2,4,6H2,1H3/t7-/m0/s1.
What are the key properties of (1R)-1-methylcyclohex-2-ene-1-thiol?
(1R)-1-methylcyclohex-2-ene-1-thiol has a molecular weight of 128.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methylcyclohex-2-ene-1-thiol is sourced from PubChem (CID 11159340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).