Basic information
- CAS
211809-19-7- Standard SMILES
CC1Nc2ncccc2S(=O)(=O)N1- InChIKey
VVWCMQZVFFXGAN-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.04154771
Names & identifiers
- Preferred name
- 3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
- IUPAC
- 3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
- English name
- 2H-Pyrido[2,3-e]-1,2,4-thiadiazine,3,4-dihydro-3-methyl-,1,1-dioxide(9CI)
- Molecular formula
- C7H9N3O2S
- Molecular weight
- 199.23
Names & synonyms
211809-19-7CHEMBL1014982H-Pyrido[2,3-e]-1,2,4-thiadiazine, 3,4-dihydro-3-methyl-, 1,1-dioxide2H-Pyrido[2,3-e]-1,2,4-thiadiazine,3,4-dihydro-3-methyl-,1,1-dioxide(9CI)
Database identifiers
- CAS
211809-19-7- PubChem CID
- 10559912
- ChEMBL
CHEMBL101498
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
LogP0.35
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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