2-methyl-6-methylidenecyclohexene-1-thiol

C8H12S — CID 143333530

IUPAC2-methyl-6-methylidenecyclohexene-1-thiol
SMILESC=C1CCCC(C)=C1S
InChIInChI=1S/C8H12S/c1-6-4-3-5-7(2)8(6)9/h9H,1,3-5H2,2H3
InChIKeyZBMLGLPVKFWZLR-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.93
Rot. Bonds

About 2-methyl-6-methylidenecyclohexene-1-thiol

2-methyl-6-methylidenecyclohexene-1-thiol (PubChem CID 143333530) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-methyl-6-methylidenecyclohexene-1-thiol.

Molecular Properties

Compound Name2-methyl-6-methylidenecyclohexene-1-thiol
PubChem CID143333530
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-methyl-6-methylidenecyclohexene-1-thiol
SMILESC=C1CCCC(C)=C1S
InChIInChI=1S/C8H12S/c1-6-4-3-5-7(2)8(6)9/h9H,1,3-5H2,2H3
InChIKeyZBMLGLPVKFWZLR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.93
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

2-ethenoxy-1-methyl-3-methylidenecyclohexene
CID 143340882
1-methoxy-2-methyl-3-methylidenecyclohexene
CID 67978383
1,2-dimethylcyclopentene;molecular fluorine
CID 157100565
benzene;1,2-dimethylcyclopentene;ethane
CID 164574417
3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene
CID 123766464
1-ethenyl-2-methylcyclopentene
CID 123848216
(1E)-1-ethylidene-2-methylidenecyclopentane
CID 142947641
1-[bis(2-methyl-6-methylidenecyclohexen-1-yl)methyl]-3-methylbenzene
CID 143279229
1-(2-methylcyclopenten-1-yl)ethanethiol
CID 139333746
2-methylidenecyclopentan-1-imine
CID 142910632
cyclopentene-1,2-dithiol
CID 15897860
2-(2-methylcyclopenten-1-yl)benzenethiol
CID 118335227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylidenecyclohexene-1-thiol?
The IUPAC name of 2-methyl-6-methylidenecyclohexene-1-thiol (CID 143333530) is 2-methyl-6-methylidenecyclohexene-1-thiol.
What is the SMILES notation for 2-methyl-6-methylidenecyclohexene-1-thiol?
The canonical SMILES for 2-methyl-6-methylidenecyclohexene-1-thiol is C=C1CCCC(C)=C1S.
What is the InChIKey of 2-methyl-6-methylidenecyclohexene-1-thiol?
The InChIKey is ZBMLGLPVKFWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6-4-3-5-7(2)8(6)9/h9H,1,3-5H2,2H3.
What are the key properties of 2-methyl-6-methylidenecyclohexene-1-thiol?
2-methyl-6-methylidenecyclohexene-1-thiol has a molecular weight of 140.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylidenecyclohexene-1-thiol is sourced from PubChem (CID 143333530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).