7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride

C6H7ClO2S2 — CID 46182816

IUPAC7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2C=CC1S2
InChIInChI=1S/C6H7ClO2S2/c7-11(8,9)6-3-4-1-2-5(6)10-4/h1-2,4-6H,3H2
InChIKeyOBHPBVPALSOUAZ-UHFFFAOYSA-N
MW210.71 g/mol
LogP1.37
Rot. Bonds1

About 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride

7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride (PubChem CID 46182816) has the molecular formula C6H7ClO2S2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride.

Molecular Properties

Compound Name7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride
PubChem CID46182816
Molecular FormulaC6H7ClO2S2
Molecular Weight210.71 g/mol
Exact Mass209.96
IUPAC Name7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2C=CC1S2
InChIInChI=1S/C6H7ClO2S2/c7-11(8,9)6-3-4-1-2-5(6)10-4/h1-2,4-6H,3H2
InChIKeyOBHPBVPALSOUAZ-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride?
The IUPAC name of 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride (CID 46182816) is 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride.
What is the SMILES notation for 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride?
The canonical SMILES for 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride is O=S(=O)(Cl)C1CC2C=CC1S2.
What is the InChIKey of 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride?
The InChIKey is OBHPBVPALSOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO2S2/c7-11(8,9)6-3-4-1-2-5(6)10-4/h1-2,4-6H,3H2.
What are the key properties of 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride?
7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride has a molecular weight of 210.71 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonyl chloride is sourced from PubChem (CID 46182816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).