1-chloroethanesulfinamide

C2H6ClNOS — CID 154126260

IUPAC1-chloroethanesulfinamide
SMILESCC(Cl)S(N)=O
InChIInChI=1S/C2H6ClNOS/c1-2(3)6(4)5/h2H,4H2,1H3
InChIKeyWJJNHWIPKZQTAF-UHFFFAOYSA-N
MW127.60 g/mol
LogP0.19
Rot. Bonds1

About 1-chloroethanesulfinamide

1-chloroethanesulfinamide (PubChem CID 154126260) has the molecular formula C2H6ClNOS and a molecular weight of 127.60 g/mol. Its IUPAC name is 1-chloroethanesulfinamide.

Molecular Properties

Compound Name1-chloroethanesulfinamide
PubChem CID154126260
Molecular FormulaC2H6ClNOS
Molecular Weight127.60 g/mol
Exact Mass126.99
IUPAC Name1-chloroethanesulfinamide
SMILESCC(Cl)S(N)=O
InChIInChI=1S/C2H6ClNOS/c1-2(3)6(4)5/h2H,4H2,1H3
InChIKeyWJJNHWIPKZQTAF-UHFFFAOYSA-N
XLogP0.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.60
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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magnesium;2-chloropropane;dichloride
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Frequently Asked Questions

What is the IUPAC name of 1-chloroethanesulfinamide?
The IUPAC name of 1-chloroethanesulfinamide (CID 154126260) is 1-chloroethanesulfinamide.
What is the SMILES notation for 1-chloroethanesulfinamide?
The canonical SMILES for 1-chloroethanesulfinamide is CC(Cl)S(N)=O.
What is the InChIKey of 1-chloroethanesulfinamide?
The InChIKey is WJJNHWIPKZQTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClNOS/c1-2(3)6(4)5/h2H,4H2,1H3.
What are the key properties of 1-chloroethanesulfinamide?
1-chloroethanesulfinamide has a molecular weight of 127.60 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethanesulfinamide is sourced from PubChem (CID 154126260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).