1-prop-1-enylcyclopropane-1-sulfonyl chloride

C6H9ClO2S — CID 141329606

IUPAC1-prop-1-enylcyclopropane-1-sulfonyl chloride
SMILESCC=CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2-3H,4-5H2,1H3
InChIKeyMOQWTNFZXUMOHG-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.66
Rot. Bonds2

About 1-prop-1-enylcyclopropane-1-sulfonyl chloride

1-prop-1-enylcyclopropane-1-sulfonyl chloride (PubChem CID 141329606) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is 1-prop-1-enylcyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-prop-1-enylcyclopropane-1-sulfonyl chloride
PubChem CID141329606
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Name1-prop-1-enylcyclopropane-1-sulfonyl chloride
SMILESCC=CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2-3H,4-5H2,1H3
InChIKeyMOQWTNFZXUMOHG-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-prop-1-enylcyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-prop-1-enylcyclopropane-1-sulfonyl chloride (CID 141329606) is 1-prop-1-enylcyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-prop-1-enylcyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-prop-1-enylcyclopropane-1-sulfonyl chloride is CC=CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-prop-1-enylcyclopropane-1-sulfonyl chloride?
The InChIKey is MOQWTNFZXUMOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2-3H,4-5H2,1H3.
What are the key properties of 1-prop-1-enylcyclopropane-1-sulfonyl chloride?
1-prop-1-enylcyclopropane-1-sulfonyl chloride has a molecular weight of 180.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 141329606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).