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89250-84-0 | Methanimidamide, N-cyano-N'-[4-(4-thiazolyl)phenyl]-
CAS No: 89250-84-0 Catalog No: AG0087XH MDL No:
Product Description
Catalog Number:
AG0087XH
Chemical Name:
Methanimidamide, N-cyano-N'-[4-(4-thiazolyl)phenyl]-
CAS Number:
89250-84-0
Molecular Formula:
C11H8N4S
Molecular Weight:
228.2730
IUPAC Name:
N-cyano-N'-[4-(1,3-thiazol-4-yl)phenyl]methanimidamide
InChI:
InChI=1S/C11H8N4S/c12-6-13-7-14-10-3-1-9(2-4-10)11-5-16-8-15-11/h1-5,7-8H,(H,13,14)
InChI Key:
CWDFJZHUHVRWKM-UHFFFAOYSA-N
SMILES:
N#CNC=Nc1ccc(cc1)c1ncsc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.273g/mol
Monoisotopic Mass:
228.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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