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Home > Bromides > 1263376-57-3
1263376-57-3 | 4-(4-Bromo-3,5-dimethylphenyl)thiosemicarbazide
CAS No: 1263376-57-3 Catalog No: AG01F9SK MDL No:MFCD18379888
Product Description
Catalog Number:
AG01F9SK
Chemical Name:
4-(4-Bromo-3,5-dimethylphenyl)thiosemicarbazide
CAS Number:
1263376-57-3
Molecular Formula:
C9H12BrN3S
Molecular Weight:
274.1807
MDL Number:
MFCD18379888
IUPAC Name:
1-amino-3-(4-bromo-3,5-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H12BrN3S/c1-5-3-7(12-9(14)13-11)4-6(2)8(5)10/h3-4H,11H2,1-2H3,(H2,12,13,14)
InChI Key:
APNBQMVQWINEAL-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cc(C)c(c(c1)C)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.18g/mol
Monoisotopic Mass:
272.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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