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88090-92-0 | 1-Propen-2-amine, 1-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-
CAS No: 88090-92-0 Catalog No: AG004H2N MDL No:
Product Description
Catalog Number:
AG004H2N
Chemical Name:
1-Propen-2-amine, 1-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]-
CAS Number:
88090-92-0
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
IUPAC Name:
1-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine
InChI:
InChI=1S/C12H13N3S/c1-8-3-5-10(6-4-8)12-14-11(16-15-12)7-9(2)13/h3-7H,13H2,1-2H3
InChI Key:
OUUHWRYLZGCLES-UHFFFAOYSA-N
SMILES:
CC(=Cc1snc(n1)c1ccc(cc1)C)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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