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19138-34-2 | 4H-1,3,4-Thiadiazine, 5,6-dihydro-4,6-dimethyl-2-(1-oxido-4-pyridinyl)-, hydrochloride (1:1)
CAS No: 19138-34-2 Catalog No: AG002F71 MDL No:
Product Description
Catalog Number:
AG002F71
Chemical Name:
4H-1,3,4-Thiadiazine, 5,6-dihydro-4,6-dimethyl-2-(1-oxido-4-pyridinyl)-, hydrochloride (1:1)
CAS Number:
19138-34-2
Molecular Formula:
C10H14ClN3OS
Molecular Weight:
259.7557
IUPAC Name:
4,6-dimethyl-3-oxido-2-pyridin-4-yl-5,6-dihydro-1,3,4-thiadiazin-3-ium;hydrochloride
InChI:
InChI=1S/C10H13N3OS.ClH/c1-8-7-12(2)13(14)10(15-8)9-3-5-11-6-4-9;/h3-6,8H,7H2,1-2H3;1H
InChI Key:
LZDKDODZTAHMMJ-UHFFFAOYSA-N
SMILES:
CC1CN(C)N=C(S1)c1cc[n+](cc1)[O-].Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.752g/mol
Monoisotopic Mass:
259.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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