(1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-

HCID 3071998

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Basic information

CAS: 139605-56-4
Standard SMILES: O=C1CN2C(=NN1)CSc1ccccc12
InChIKey: AFDGSSYOMVDLLR-UHFFFAOYSA-N
Molecular formula: C10H9N3OS
Average molar mass: 219.27 g/mol
Monoisotopic mass: 219.04663309

Names & identifiers

Preferred name: (1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-
IUPAC: 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one

Names & synonyms

(1,2,4)Triazino(3,4-c)(1,4)benzothiazin-2(1H)-one, 3,5-dihydro-139605-56-43,5-Dihydro-(1,2,4)triazino(3,4-c)(1,4)benzothiazin-2(1H)-oneDTXSID20161127RefChem:204131DTXCID6083618SCHEMBL157989393,5-Dihydro[1,2,4]triazino[3,4-c][1,4]benzothiazin-2(1H)-one

Database identifiers

CAS: 139605-56-4
PubChem CID: 3071998
DTXSID: DTXSID20161127
Nikkaji: J454.188J

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 70 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 318

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