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77811-41-7 | 2H-Benzimidazole-2-thione,6-bromo-1,3-dihydro-4-methyl-
CAS No: 77811-41-7 Catalog No: AG005F2C MDL No:
Product Description
Catalog Number:
AG005F2C
Chemical Name:
2H-Benzimidazole-2-thione,6-bromo-1,3-dihydro-4-methyl-
CAS Number:
77811-41-7
Molecular Formula:
C8H7BrN2S
Molecular Weight:
243.1236
IUPAC Name:
6-bromo-4-methyl-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12)
InChI Key:
FAFYEJCLBCSEAD-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c2c(c1)[nH]c(n2)S
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.122g/mol
Monoisotopic Mass:
241.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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