chloromethanesulfinamide

CH4ClNOS — CID 142801785

IUPACchloromethanesulfinamide
SMILESNS(=O)CCl
InChIInChI=1S/CH4ClNOS/c2-1-5(3)4/h1,3H2
InChIKeyPQNCXGAUGHQEED-UHFFFAOYSA-N
MW113.57 g/mol
LogP-0.19
Rot. Bonds1

About chloromethanesulfinamide

chloromethanesulfinamide (PubChem CID 142801785) has the molecular formula CH4ClNOS and a molecular weight of 113.57 g/mol. Its IUPAC name is chloromethanesulfinamide.

Molecular Properties

Compound Namechloromethanesulfinamide
PubChem CID142801785
Molecular FormulaCH4ClNOS
Molecular Weight113.57 g/mol
Exact Mass112.97
IUPAC Namechloromethanesulfinamide
SMILESNS(=O)CCl
InChIInChI=1S/CH4ClNOS/c2-1-5(3)4/h1,3H2
InChIKeyPQNCXGAUGHQEED-UHFFFAOYSA-N
XLogP-0.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.57
LogP ≤ 5-0.19
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

ethanesulfinamide;hydrochloride
CID 155487048
trichloromethanesulfinamide
CID 166682379
3-fluoropropane-1-sulfinamide
CID 165453633
1-chloro-2-(2-chloroethylsulfinyl)ethane
CID 22070
CID 59389736
CID 59389736
sodium;2-chloroacetamide;hydride
CID 175092720
1-chloroethanesulfinamide
CID 154126260
sodium;hydride;hydroxymethanesulfinic acid;dihydrate
CID 173024972
cyclobutylmethanesulfinamide
CID 143912187
2-methylbutane-1-sulfinamide
CID 139559461
2-methoxy-2-methylpropane-1-sulfinamide
CID 165461485
sodium 4-chlorobutane-1-sulfinate
CID 23688752

Frequently Asked Questions

What is the IUPAC name of chloromethanesulfinamide?
The IUPAC name of chloromethanesulfinamide (CID 142801785) is chloromethanesulfinamide.
What is the SMILES notation for chloromethanesulfinamide?
The canonical SMILES for chloromethanesulfinamide is NS(=O)CCl.
What is the InChIKey of chloromethanesulfinamide?
The InChIKey is PQNCXGAUGHQEED-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4ClNOS/c2-1-5(3)4/h1,3H2.
What are the key properties of chloromethanesulfinamide?
chloromethanesulfinamide has a molecular weight of 113.57 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 chloromethanesulfinamide is sourced from PubChem (CID 142801785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).