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192800-59-2 | 2H-Imidazole-2-thione, 4-(3-bromophenyl)-1,3-dihydro-
CAS No: 192800-59-2 Catalog No: AG002GBJ MDL No:
Product Description
Catalog Number:
AG002GBJ
Chemical Name:
2H-Imidazole-2-thione, 4-(3-bromophenyl)-1,3-dihydro-
CAS Number:
192800-59-2
Molecular Formula:
C9H7BrN2S
Molecular Weight:
255.1343
IUPAC Name:
4-(3-bromophenyl)-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChI Key:
ZRDCMJXSTGMZCI-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1c[nH]c(=S)[nH]1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.133g/mol
Monoisotopic Mass:
253.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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