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19138-33-1 | 4H-1,3,4-Thiadiazine, 5,6-dihydro-4,6-dimethyl-2-(3-pyridinyl)-, hydrochloride (1:1)
CAS No: 19138-33-1 Catalog No: AG002F72 MDL No:
Product Description
Catalog Number:
AG002F72
Chemical Name:
4H-1,3,4-Thiadiazine, 5,6-dihydro-4,6-dimethyl-2-(3-pyridinyl)-, hydrochloride (1:1)
CAS Number:
19138-33-1
Molecular Formula:
C10H14ClN3S
Molecular Weight:
243.7563
IUPAC Name:
4,6-dimethyl-2-pyridin-3-yl-5,6-dihydro-1,3,4-thiadiazine;hydrochloride
InChI:
InChI=1S/C10H13N3S.ClH/c1-8-7-13(2)12-10(14-8)9-4-3-5-11-6-9;/h3-6,8H,7H2,1-2H3;1H
InChI Key:
JZCAIMWHUABGAB-UHFFFAOYSA-N
SMILES:
CC1CN(C)N=C(S1)c1cccnc1.Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.753g/mol
Monoisotopic Mass:
243.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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