(1S)-cyclohex-2-ene-1-thiol

C6H10S — CID 11116028

IUPAC(1S)-cyclohex-2-ene-1-thiol
SMILESS[C@@H]1C=CCCC1
InChIInChI=1S/C6H10S/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1
InChIKeyOTMRJSRKUQXLBW-ZCFIWIBFSA-N
MW114.21 g/mol
LogP2.02
Rot. Bonds

About (1S)-cyclohex-2-ene-1-thiol

(1S)-cyclohex-2-ene-1-thiol (PubChem CID 11116028) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is (1S)-cyclohex-2-ene-1-thiol.

Molecular Properties

Compound Name(1S)-cyclohex-2-ene-1-thiol
PubChem CID11116028
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name(1S)-cyclohex-2-ene-1-thiol
SMILESS[C@@H]1C=CCCC1
InChIInChI=1S/C6H10S/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1
InChIKeyOTMRJSRKUQXLBW-ZCFIWIBFSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.02
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 (1S)-cyclohex-2-ene-1-thiol?
The IUPAC name of (1S)-cyclohex-2-ene-1-thiol (CID 11116028) is (1S)-cyclohex-2-ene-1-thiol.
What is the SMILES notation for (1S)-cyclohex-2-ene-1-thiol?
The canonical SMILES for (1S)-cyclohex-2-ene-1-thiol is S[C@@H]1C=CCCC1.
What is the InChIKey of (1S)-cyclohex-2-ene-1-thiol?
The InChIKey is OTMRJSRKUQXLBW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10S/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1.
What are the key properties of (1S)-cyclohex-2-ene-1-thiol?
(1S)-cyclohex-2-ene-1-thiol has a molecular weight of 114.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-cyclohex-2-ene-1-thiol is sourced from PubChem (CID 11116028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).