4-cyclohexylbenzene-1,2-dithiol

C12H16S2 — CID 22497894

IUPAC4-cyclohexylbenzene-1,2-dithiol
SMILESSc1ccc(C2CCCCC2)cc1S
InChIInChI=1S/C12H16S2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h6-9,13-14H,1-5H2
InChIKeyKVDFPKYVACBZJL-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.31
Rot. Bonds1

About 4-cyclohexylbenzene-1,2-dithiol

4-cyclohexylbenzene-1,2-dithiol (PubChem CID 22497894) has the molecular formula C12H16S2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-cyclohexylbenzene-1,2-dithiol.

Molecular Properties

Compound Name4-cyclohexylbenzene-1,2-dithiol
PubChem CID22497894
Molecular FormulaC12H16S2
Molecular Weight224.39 g/mol
Exact Mass224.07
IUPAC Name4-cyclohexylbenzene-1,2-dithiol
SMILESSc1ccc(C2CCCCC2)cc1S
InChIInChI=1S/C12H16S2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h6-9,13-14H,1-5H2
InChIKeyKVDFPKYVACBZJL-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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1,3,5-tricyclopentylbenzene
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3,6-dicyclohexyl-9H-fluorene
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2,5-di(cyclononyl)phenol
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6-cyclohexylphthalazine
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6-cyclohexylnaphthalen-2-ol
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4-cyclododecyl-2-fluorophenol
CID 146306960
1-bromo-4-cyclohexyl-2-fluorobenzene
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4-cyclodecyl-2-methylphenol
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CID 18451501

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbenzene-1,2-dithiol?
The IUPAC name of 4-cyclohexylbenzene-1,2-dithiol (CID 22497894) is 4-cyclohexylbenzene-1,2-dithiol.
What is the SMILES notation for 4-cyclohexylbenzene-1,2-dithiol?
The canonical SMILES for 4-cyclohexylbenzene-1,2-dithiol is Sc1ccc(C2CCCCC2)cc1S.
What is the InChIKey of 4-cyclohexylbenzene-1,2-dithiol?
The InChIKey is KVDFPKYVACBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h6-9,13-14H,1-5H2.
What are the key properties of 4-cyclohexylbenzene-1,2-dithiol?
4-cyclohexylbenzene-1,2-dithiol has a molecular weight of 224.39 g/mol, XLogP of 4.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbenzene-1,2-dithiol is sourced from PubChem (CID 22497894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).