1-chloro-1-cyclopropylsulfonylcyclopropane

C6H9ClO2S — CID 66687291

IUPAC1-chloro-1-cyclopropylsulfonylcyclopropane
SMILESO=S(=O)(C1CC1)C1(Cl)CC1
InChIInChI=1S/C6H9ClO2S/c7-6(3-4-6)10(8,9)5-1-2-5/h5H,1-4H2
InChIKeyMZMJFPLLRRTPAD-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.29
Rot. Bonds2

About 1-chloro-1-cyclopropylsulfonylcyclopropane

1-chloro-1-cyclopropylsulfonylcyclopropane (PubChem CID 66687291) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is 1-chloro-1-cyclopropylsulfonylcyclopropane.

Molecular Properties

Compound Name1-chloro-1-cyclopropylsulfonylcyclopropane
PubChem CID66687291
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Name1-chloro-1-cyclopropylsulfonylcyclopropane
SMILESO=S(=O)(C1CC1)C1(Cl)CC1
InChIInChI=1S/C6H9ClO2S/c7-6(3-4-6)10(8,9)5-1-2-5/h5H,1-4H2
InChIKeyMZMJFPLLRRTPAD-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-cyclopropylsulfonylcyclopropane?
The IUPAC name of 1-chloro-1-cyclopropylsulfonylcyclopropane (CID 66687291) is 1-chloro-1-cyclopropylsulfonylcyclopropane.
What is the SMILES notation for 1-chloro-1-cyclopropylsulfonylcyclopropane?
The canonical SMILES for 1-chloro-1-cyclopropylsulfonylcyclopropane is O=S(=O)(C1CC1)C1(Cl)CC1.
What is the InChIKey of 1-chloro-1-cyclopropylsulfonylcyclopropane?
The InChIKey is MZMJFPLLRRTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c7-6(3-4-6)10(8,9)5-1-2-5/h5H,1-4H2.
What are the key properties of 1-chloro-1-cyclopropylsulfonylcyclopropane?
1-chloro-1-cyclopropylsulfonylcyclopropane has a molecular weight of 180.66 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-cyclopropylsulfonylcyclopropane is sourced from PubChem (CID 66687291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).