3-Methylsulfanyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate

HCID 19064751
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Basic information

Standard SMILES
CSC1=NS(=O)(=O)c2cnccc2N1.O
InChIKey
VLQMWQXZQNBCMN-UHFFFAOYSA-N
Molecular formula
C7H9N3O3S2
Average molar mass
247.3 g/mol
Monoisotopic mass
247.0085335

Names & identifiers

Preferred name
3-Methylsulfanyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate
IUPAC
3-methylsulfanyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide;hydrate

Names & synonyms

SCHEMBL6617511VLQMWQXZQNBCMN-UHFFFAOYSA-N3-Methylsulfanyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate

Database identifiers

PubChem CID
19064751

Properties

Computed structural properties

Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
15

Related reactions

4 records
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Compound notes

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