2-Methyl-3-methylsulfanyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide

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Basic information

CAS: 42140-65-8
Standard SMILES: CSC1=Nc2ccccc2S(=O)(=O)N1C
InChIKey: GADLPCVWHQHIMG-UHFFFAOYSA-N
Molecular formula: C9H10N2O2S2
Average molar mass: 242.3 g/mol
Monoisotopic mass: 242.01836991

Names & identifiers

Preferred name: 2-Methyl-3-methylsulfanyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
IUPAC: 2-methyl-3-methylsulfanyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

Names & synonyms

NSC52204742140-65-8DTXSID80325940NSC-522047DS-0087462H-1,2,4-BENZOTHIADIAZINE,2-METHYL-3-(METHYLTHIO)-, 1,1-DIOXIDE2-Methyl-3-(methylsulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

Database identifiers

CAS: 42140-65-8
PubChem CID: 351507
DTXSID: DTXSID80325940

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 83.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 372

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Compound notes

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