bicyclo[2.2.1]hept-5-ene-2-thiol

C7H10S — CID 73114971

IUPACbicyclo[2.2.1]hept-5-ene-2-thiol
SMILESSC1CC2C=CC1C2
InChIInChI=1S/C7H10S/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyOUYHYFKNLDXIQP-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.88
Rot. Bonds

About bicyclo[2.2.1]hept-5-ene-2-thiol

bicyclo[2.2.1]hept-5-ene-2-thiol (PubChem CID 73114971) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-ene-2-thiol.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-5-ene-2-thiol
PubChem CID73114971
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Namebicyclo[2.2.1]hept-5-ene-2-thiol
SMILESSC1CC2C=CC1C2
InChIInChI=1S/C7H10S/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyOUYHYFKNLDXIQP-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-thiol?
The IUPAC name of bicyclo[2.2.1]hept-5-ene-2-thiol (CID 73114971) is bicyclo[2.2.1]hept-5-ene-2-thiol.
What is the SMILES notation for bicyclo[2.2.1]hept-5-ene-2-thiol?
The canonical SMILES for bicyclo[2.2.1]hept-5-ene-2-thiol is SC1CC2C=CC1C2.
What is the InChIKey of bicyclo[2.2.1]hept-5-ene-2-thiol?
The InChIKey is OUYHYFKNLDXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2.
What are the key properties of bicyclo[2.2.1]hept-5-ene-2-thiol?
bicyclo[2.2.1]hept-5-ene-2-thiol has a molecular weight of 126.22 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-5-ene-2-thiol is sourced from PubChem (CID 73114971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).