bicyclo[2.2.1]hept-5-ene-2,3-dithiol

C7H10S2 — CID 102246052

IUPACbicyclo[2.2.1]hept-5-ene-2,3-dithiol
SMILESSC1C2C=CC(C2)C1S
InChIInChI=1S/C7H10S2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-9H,3H2
InChIKeySFBXVLGAKHXXGL-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.79
Rot. Bonds

About bicyclo[2.2.1]hept-5-ene-2,3-dithiol

bicyclo[2.2.1]hept-5-ene-2,3-dithiol (PubChem CID 102246052) has the molecular formula C7H10S2 and a molecular weight of 158.29 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-ene-2,3-dithiol.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-5-ene-2,3-dithiol
PubChem CID102246052
Molecular FormulaC7H10S2
Molecular Weight158.29 g/mol
Exact Mass158.02
IUPAC Namebicyclo[2.2.1]hept-5-ene-2,3-dithiol
SMILESSC1C2C=CC(C2)C1S
InChIInChI=1S/C7H10S2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-9H,3H2
InChIKeySFBXVLGAKHXXGL-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.79
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 bicyclo[2.2.1]hept-5-ene-2,3-dithiol?
The IUPAC name of bicyclo[2.2.1]hept-5-ene-2,3-dithiol (CID 102246052) is bicyclo[2.2.1]hept-5-ene-2,3-dithiol.
What is the SMILES notation for bicyclo[2.2.1]hept-5-ene-2,3-dithiol?
The canonical SMILES for bicyclo[2.2.1]hept-5-ene-2,3-dithiol is SC1C2C=CC(C2)C1S.
What is the InChIKey of bicyclo[2.2.1]hept-5-ene-2,3-dithiol?
The InChIKey is SFBXVLGAKHXXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-9H,3H2.
What are the key properties of bicyclo[2.2.1]hept-5-ene-2,3-dithiol?
bicyclo[2.2.1]hept-5-ene-2,3-dithiol has a molecular weight of 158.29 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-5-ene-2,3-dithiol is sourced from PubChem (CID 102246052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).