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89259-41-6 | Methanimidamide, N-2-propynyl-N'-[4-(4-thiazolyl)phenyl]-
CAS No: 89259-41-6 Catalog No: AG0041YW MDL No:
Product Description
Catalog Number:
AG0041YW
Chemical Name:
Methanimidamide, N-2-propynyl-N'-[4-(4-thiazolyl)phenyl]-
CAS Number:
89259-41-6
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
IUPAC Name:
N'-prop-2-ynyl-N-[4-(1,3-thiazol-4-yl)phenyl]methanimidamide
InChI:
InChI=1S/C13H11N3S/c1-2-7-14-9-15-12-5-3-11(4-6-12)13-8-17-10-16-13/h1,3-6,8-10H,7H2,(H,14,15)
InChI Key:
BCKROTLXDDOXNE-UHFFFAOYSA-N
SMILES:
C#CCNC=Nc1ccc(cc1)c1ncsc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.312g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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