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89259-40-5 | Methanimidamide, N-(1-methylethyl)-N'-[4-(4-thiazolyl)phenyl]-
CAS No: 89259-40-5 Catalog No: AG0087QP MDL No:
Product Description
Catalog Number:
AG0087QP
Chemical Name:
Methanimidamide, N-(1-methylethyl)-N'-[4-(4-thiazolyl)phenyl]-
CAS Number:
89259-40-5
Molecular Formula:
C13H15N3S
Molecular Weight:
245.3433
IUPAC Name:
N'-propan-2-yl-N-[4-(1,3-thiazol-4-yl)phenyl]methanimidamide
InChI:
InChI=1S/C13H15N3S/c1-10(2)14-8-15-12-5-3-11(4-6-12)13-7-17-9-16-13/h3-10H,1-2H3,(H,14,15)
InChI Key:
KMRDHFGRQKBIKC-UHFFFAOYSA-N
SMILES:
CC(NC=Nc1ccc(cc1)c1ncsc1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.344g/mol
Monoisotopic Mass:
245.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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