1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol

C14H24S4 — CID 76563943

IUPAC1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
SMILESSC(SC1CCCCC1)=C(S)SC1CCCCC1
InChIInChI=1S/C14H24S4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h11-12,15-16H,1-10H2
InChIKeyJHCVNURKHVUQPG-UHFFFAOYSA-N
MW320.61 g/mol
LogP6.10
Rot. Bonds4

About 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol

1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol (PubChem CID 76563943) has the molecular formula C14H24S4 and a molecular weight of 320.61 g/mol. Its IUPAC name is 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol.

Molecular Properties

Compound Name1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
PubChem CID76563943
Molecular FormulaC14H24S4
Molecular Weight320.61 g/mol
Exact Mass320.08
IUPAC Name1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
SMILESSC(SC1CCCCC1)=C(S)SC1CCCCC1
InChIInChI=1S/C14H24S4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h11-12,15-16H,1-10H2
InChIKeyJHCVNURKHVUQPG-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylsulfanylformic acid
CID 57292109
2-cyclohexylsulfanyl-2-oxoacetic acid
CID 118565596
disulfanylcyclododecane
CID 87475322
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
cycloheptyl carbamimidothioate
CID 82935855
S-cyclohexyl N-iodocarbamothioate
CID 174358840
cyclohexyl carbamimidothioate;hydrobromide
CID 13257205
S-cyclohexyl 3-sulfanylbutanethioate
CID 87474709
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
cyclohexyl thiohypochlorite
CID 174496435
S-cyclohexyl 2-sulfanylbenzenecarbothioate
CID 87473649
S-cyclobutyl ethanethioate
CID 91113271

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol?
The IUPAC name of 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol (CID 76563943) is 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol.
What is the SMILES notation for 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol?
The canonical SMILES for 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol is SC(SC1CCCCC1)=C(S)SC1CCCCC1.
What is the InChIKey of 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol?
The InChIKey is JHCVNURKHVUQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h11-12,15-16H,1-10H2.
What are the key properties of 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol?
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol has a molecular weight of 320.61 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol is sourced from PubChem (CID 76563943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).