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139420-62-5 | 6H-1,3,4-Thiadiazin-2-amine, 5-(3-pyridinyl)-
CAS No: 139420-62-5 Catalog No: AG001AZV MDL No:
Product Description
Catalog Number:
AG001AZV
Chemical Name:
6H-1,3,4-Thiadiazin-2-amine, 5-(3-pyridinyl)-
CAS Number:
139420-62-5
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
IUPAC Name:
5-pyridin-3-yl-6H-1,3,4-thiadiazin-2-amine
InChI:
InChI=1S/C8H8N4S/c9-8-12-11-7(5-13-8)6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,12)
InChI Key:
NCDFLSRVKXKNHL-UHFFFAOYSA-N
SMILES:
NC1=NN=C(CS1)c1cccnc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.24g/mol
Monoisotopic Mass:
192.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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