1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane

C4H5ClNO4S- — CID 89156369

IUPAC1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane
SMILESO=C(NS(=O)[O-])OC1(Cl)CC1
InChIInChI=1S/C4H6ClNO4S/c5-4(1-2-4)10-3(7)6-11(8)9/h1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyFBGYPENSBNKFLJ-UHFFFAOYSA-M
MW198.61 g/mol
LogP0.24
Rot. Bonds2

About 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane

1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane (PubChem CID 89156369) has the molecular formula C4H5ClNO4S- and a molecular weight of 198.61 g/mol. Its IUPAC name is 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane.

Molecular Properties

Compound Name1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane
PubChem CID89156369
Molecular FormulaC4H5ClNO4S-
Molecular Weight198.61 g/mol
Exact Mass197.96
IUPAC Name1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane
SMILESO=C(NS(=O)[O-])OC1(Cl)CC1
InChIInChI=1S/C4H6ClNO4S/c5-4(1-2-4)10-3(7)6-11(8)9/h1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyFBGYPENSBNKFLJ-UHFFFAOYSA-M
XLogP0.24
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane?
The IUPAC name of 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane (CID 89156369) is 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane.
What is the SMILES notation for 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane?
The canonical SMILES for 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane is O=C(NS(=O)[O-])OC1(Cl)CC1.
What is the InChIKey of 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane?
The InChIKey is FBGYPENSBNKFLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6ClNO4S/c5-4(1-2-4)10-3(7)6-11(8)9/h1-2H2,(H,6,7)(H,8,9)/p-1.
What are the key properties of 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane?
1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane has a molecular weight of 198.61 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane is sourced from PubChem (CID 89156369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).