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Home > Imidazoles > 126384-99-4
126384-99-4 | Benzoic acid, 2-[[5-[[(2,4-dioxo-1-imidazolidinyl)imino]methyl]-2-thienyl]thio]-
CAS No: 126384-99-4 Catalog No: AG000SPQ MDL No:
Product Description
Catalog Number:
AG000SPQ
Chemical Name:
Benzoic acid, 2-[[5-[[(2,4-dioxo-1-imidazolidinyl)imino]methyl]-2-thienyl]thio]-
CAS Number:
126384-99-4
Molecular Formula:
C15H11N3O4S2
Molecular Weight:
361.3955
IUPAC Name:
2-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]thiophen-2-yl]sulfanylbenzoic acid
InChI:
InChI=1S/C15H11N3O4S2/c19-12-8-18(15(22)17-12)16-7-9-5-6-13(23-9)24-11-4-2-1-3-10(11)14(20)21/h1-7H,8H2,(H,20,21)(H,17,19,22)/b16-7+
InChI Key:
IPNHTOGYBOOBER-FRKPEAEDSA-N
SMILES:
O=C1NC(=O)N(C1)N=Cc1ccc(s1)Sc1ccccc1C(=O)O
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
361.019g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.39g/mol
Monoisotopic Mass:
361.019g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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