5,6-dimethylcyclohex-2-ene-1-thiol

C8H14S — CID 143060463

IUPAC5,6-dimethylcyclohex-2-ene-1-thiol
SMILESCC1CC=CC(S)C1C
InChIInChI=1S/C8H14S/c1-6-4-3-5-8(9)7(6)2/h3,5-9H,4H2,1-2H3
InChIKeyGWNWFSUXBYUYKZ-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.52
Rot. Bonds

About 5,6-dimethylcyclohex-2-ene-1-thiol

5,6-dimethylcyclohex-2-ene-1-thiol (PubChem CID 143060463) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5,6-dimethylcyclohex-2-ene-1-thiol.

Molecular Properties

Compound Name5,6-dimethylcyclohex-2-ene-1-thiol
PubChem CID143060463
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name5,6-dimethylcyclohex-2-ene-1-thiol
SMILESCC1CC=CC(S)C1C
InChIInChI=1S/C8H14S/c1-6-4-3-5-8(9)7(6)2/h3,5-9H,4H2,1-2H3
InChIKeyGWNWFSUXBYUYKZ-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.52
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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Related Compounds

(4S)-3,4-dimethylcyclopentene
CID 145216424
3-tert-butyl-4,5-dimethylcyclohexene
CID 123727998
5-methylcyclopent-2-ene-1-carbaldehyde
CID 75994699
5-methylcyclopent-2-en-1-ol
CID 23103323
5-ethyl-3,6,7-trimethylcyclooctene
CID 123325813
3-methylcyclobutene;sulfane
CID 90110313
3-ethenyl-4-methylcyclopentene
CID 143683311
cyclohexa-2,4-diene-1-thiol
CID 18734712
4-methylcyclopentene;oxophosphane
CID 175055525
4-methyl-3-propylcyclopentene
CID 91050594
1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone
CID 130029378
(3aR,4R,7aS)-4-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
CID 98047488

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylcyclohex-2-ene-1-thiol?
The IUPAC name of 5,6-dimethylcyclohex-2-ene-1-thiol (CID 143060463) is 5,6-dimethylcyclohex-2-ene-1-thiol.
What is the SMILES notation for 5,6-dimethylcyclohex-2-ene-1-thiol?
The canonical SMILES for 5,6-dimethylcyclohex-2-ene-1-thiol is CC1CC=CC(S)C1C.
What is the InChIKey of 5,6-dimethylcyclohex-2-ene-1-thiol?
The InChIKey is GWNWFSUXBYUYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6-4-3-5-8(9)7(6)2/h3,5-9H,4H2,1-2H3.
What are the key properties of 5,6-dimethylcyclohex-2-ene-1-thiol?
5,6-dimethylcyclohex-2-ene-1-thiol has a molecular weight of 142.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylcyclohex-2-ene-1-thiol is sourced from PubChem (CID 143060463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).