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917747-93-4 | Isobutyl-(5-o-tolyl-[1,3,4]thiadiazol-2-yl)-amine
CAS No: 917747-93-4 Catalog No: AG01F9E6 MDL No:
Product Description
Catalog Number:
AG01F9E6
Chemical Name:
Isobutyl-(5-o-tolyl-[1,3,4]thiadiazol-2-yl)-amine
CAS Number:
917747-93-4
Molecular Formula:
C13H17N3S
Molecular Weight:
247.3592
IUPAC Name:
5-(2-methylphenyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C13H17N3S/c1-9(2)8-14-13-16-15-12(17-13)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChI Key:
PEEWCCFFOSLWPW-UHFFFAOYSA-N
SMILES:
CC(CNc1nnc(s1)c1ccccc1C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.36g/mol
Monoisotopic Mass:
247.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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