1-(2-methylidenecyclohexyl)ethane-1,2-dithiol

C9H16S2 — CID 90723965

IUPAC1-(2-methylidenecyclohexyl)ethane-1,2-dithiol
SMILESC=C1CCCCC1C(S)CS
InChIInChI=1S/C9H16S2/c1-7-4-2-3-5-8(7)9(11)6-10/h8-11H,1-6H2
InChIKeyVFRREZFWFJZESH-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.96
Rot. Bonds2

About 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol

1-(2-methylidenecyclohexyl)ethane-1,2-dithiol (PubChem CID 90723965) has the molecular formula C9H16S2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol.

Molecular Properties

Compound Name1-(2-methylidenecyclohexyl)ethane-1,2-dithiol
PubChem CID90723965
Molecular FormulaC9H16S2
Molecular Weight188.36 g/mol
Exact Mass188.07
IUPAC Name1-(2-methylidenecyclohexyl)ethane-1,2-dithiol
SMILESC=C1CCCCC1C(S)CS
InChIInChI=1S/C9H16S2/c1-7-4-2-3-5-8(7)9(11)6-10/h8-11H,1-6H2
InChIKeyVFRREZFWFJZESH-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-ene-1,2-dithiol
CID 129665814
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
2-Allylcyclohexanethiol
CID 12396254
(2-Methylidenecyclohexyl)methanethiol
CID 15633292
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
5-Methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
CID 20583882
5-Cyclohexyl-2-methylpent-2-ene-1-thiol
CID 54214025
6-(Cyclohexylmethyl)pentathiepine
CID 57031745
(4-Ethylcyclohexylidene)methanedithiol
CID 58698026
(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
CID 59062062
1-Cyclohexylethene-1,2-dithiol
CID 72542979

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol?
The IUPAC name of 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol (CID 90723965) is 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol.
What is the SMILES notation for 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol?
The canonical SMILES for 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol is C=C1CCCCC1C(S)CS.
What is the InChIKey of 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol?
The InChIKey is VFRREZFWFJZESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S2/c1-7-4-2-3-5-8(7)9(11)6-10/h8-11H,1-6H2.
What are the key properties of 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol?
1-(2-methylidenecyclohexyl)ethane-1,2-dithiol has a molecular weight of 188.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenecyclohexyl)ethane-1,2-dithiol is sourced from PubChem (CID 90723965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).