trichloromethanesulfinamide

CH2Cl3NOS — CID 166682379

IUPACtrichloromethanesulfinamide
SMILESNS(=O)C(Cl)(Cl)Cl
InChIInChI=1S/CH2Cl3NOS/c2-1(3,4)7(5)6/h5H2
InChIKeyKWLJAQDVBLPCMT-UHFFFAOYSA-N
MW182.46 g/mol
LogP0.94
Rot. Bonds

About trichloromethanesulfinamide

trichloromethanesulfinamide (PubChem CID 166682379) has the molecular formula CH2Cl3NOS and a molecular weight of 182.46 g/mol. Its IUPAC name is trichloromethanesulfinamide.

Molecular Properties

Compound Nametrichloromethanesulfinamide
PubChem CID166682379
Molecular FormulaCH2Cl3NOS
Molecular Weight182.46 g/mol
Exact Mass180.89
IUPAC Nametrichloromethanesulfinamide
SMILESNS(=O)C(Cl)(Cl)Cl
InChIInChI=1S/CH2Cl3NOS/c2-1(3,4)7(5)6/h5H2
InChIKeyKWLJAQDVBLPCMT-UHFFFAOYSA-N
XLogP0.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.46
LogP ≤ 50.94
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

chloromethanesulfinamide
CID 142801785
(R)-3-ethylpentane-3-sulfinamide
CID 11159499
CID 59389736
CID 59389736
1-chloroethanesulfinamide
CID 154126260
CID 20686844
CID 20686844
2-methylhexane-2-sulfinamide
CID 123826931
CID 175447922
CID 175447922
CID 159701297
CID 159701297
CID 160946588
CID 160946588
methane;thionyl dichloride
CID 87295890
N-methyl-N-(trichloromethyl)thiohydroxylamine
CID 88816877
(S)-2-methylpropane-2-sulfinyl chloride
CID 98043154

Frequently Asked Questions

What is the IUPAC name of trichloromethanesulfinamide?
The IUPAC name of trichloromethanesulfinamide (CID 166682379) is trichloromethanesulfinamide.
What is the SMILES notation for trichloromethanesulfinamide?
The canonical SMILES for trichloromethanesulfinamide is NS(=O)C(Cl)(Cl)Cl.
What is the InChIKey of trichloromethanesulfinamide?
The InChIKey is KWLJAQDVBLPCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl3NOS/c2-1(3,4)7(5)6/h5H2.
What are the key properties of trichloromethanesulfinamide?
trichloromethanesulfinamide has a molecular weight of 182.46 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloromethanesulfinamide is sourced from PubChem (CID 166682379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).