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865659-24-1 | (E)-N'-[5-(4-methanesulfonylbenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
CAS No: 865659-24-1 Catalog No: AG00IPSE MDL No:MFCD04125192
Product Description
Catalog Number:
AG00IPSE
Chemical Name:
(E)-N'-[5-(4-methanesulfonylbenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
CAS Number:
865659-24-1
Molecular Formula:
C14H15N3O3S2
Molecular Weight:
337.4172
MDL Number:
MFCD04125192
IUPAC Name:
N,N-dimethyl-N'-[5-(4-methylsulfonylbenzoyl)-1,3-thiazol-2-yl]methanimidamide
InChI:
InChI=1S/C14H15N3O3S2/c1-17(2)9-16-14-15-8-12(21-14)13(18)10-4-6-11(7-5-10)22(3,19)20/h4-9H,1-3H3/b16-9+
InChI Key:
JNPAHPNARRVJQP-CXUHLZMHSA-N
SMILES:
CN(/C=N/c1ncc(s1)C(=O)c1ccc(cc1)S(=O)(=O)C)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
337.055g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.412g/mol
Monoisotopic Mass:
337.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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