2-[O-(N-methyl-N-trichloromethanesulfenylcarbamoyl)oximino]-3,3-dimethyltetrahydro-1,4-thiazin-5-one

HCID 53664537
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Basic information

Standard SMILES
CN(SC(Cl)(Cl)Cl)C(=O)ON=C1SCC(=O)NC1(C)C
InChIKey
AVQHACOWZKKJKI-UHFFFAOYSA-N
Molecular formula
C9H12Cl3N3O3S2
Average molar mass
380.7 g/mol

Names & identifiers

Preferred name
2-[O-(N-methyl-N-trichloromethanesulfenylcarbamoyl)oximino]-3,3-dimethyltetrahydro-1,4-thiazin-5-one
IUPAC
[(3,3-dimethyl-5-oxothiomorpholin-2-ylidene)amino] N-methyl-N-(trichloromethylsulfanyl)carbamate

Names & synonyms

SCHEMBL11573910AVQHACOWZKKJKI-UHFFFAOYSA-N2-[O-(N-methyl-N-trichloromethanesulfenylcarbamoyl)oximino]-3,3-dimethyltetrahydro-1,4-thiazin-5-one

Database identifiers

PubChem CID
53664537

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
122 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
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Compound notes

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