6-ethenylcyclohexa-1,3-diene-1,2-dithiol

C8H10S2 — CID 166522442

IUPAC6-ethenylcyclohexa-1,3-diene-1,2-dithiol
SMILESC=CC1CC=CC(S)=C1S
InChIInChI=1S/C8H10S2/c1-2-6-4-3-5-7(9)8(6)10/h2-3,5-6,9-10H,1,4H2
InChIKeyZXKHFCAONKEWPK-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.82
Rot. Bonds1

About 6-ethenylcyclohexa-1,3-diene-1,2-dithiol

6-ethenylcyclohexa-1,3-diene-1,2-dithiol (PubChem CID 166522442) has the molecular formula C8H10S2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 6-ethenylcyclohexa-1,3-diene-1,2-dithiol.

Molecular Properties

Compound Name6-ethenylcyclohexa-1,3-diene-1,2-dithiol
PubChem CID166522442
Molecular FormulaC8H10S2
Molecular Weight170.30 g/mol
Exact Mass170.02
IUPAC Name6-ethenylcyclohexa-1,3-diene-1,2-dithiol
SMILESC=CC1CC=CC(S)=C1S
InChIInChI=1S/C8H10S2/c1-2-6-4-3-5-7(9)8(6)10/h2-3,5-6,9-10H,1,4H2
InChIKeyZXKHFCAONKEWPK-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 6-ethenylcyclohexa-1,3-diene-1,2-dithiol?
The IUPAC name of 6-ethenylcyclohexa-1,3-diene-1,2-dithiol (CID 166522442) is 6-ethenylcyclohexa-1,3-diene-1,2-dithiol.
What is the SMILES notation for 6-ethenylcyclohexa-1,3-diene-1,2-dithiol?
The canonical SMILES for 6-ethenylcyclohexa-1,3-diene-1,2-dithiol is C=CC1CC=CC(S)=C1S.
What is the InChIKey of 6-ethenylcyclohexa-1,3-diene-1,2-dithiol?
The InChIKey is ZXKHFCAONKEWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2/c1-2-6-4-3-5-7(9)8(6)10/h2-3,5-6,9-10H,1,4H2.
What are the key properties of 6-ethenylcyclohexa-1,3-diene-1,2-dithiol?
6-ethenylcyclohexa-1,3-diene-1,2-dithiol has a molecular weight of 170.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylcyclohexa-1,3-diene-1,2-dithiol is sourced from PubChem (CID 166522442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).