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183365-72-2 | 4-(3,4-Dibromophenyl)thiosemicarbazide
CAS No: 183365-72-2 Catalog No: AG01FCT6 MDL No:MFCD18379870
Product Description
Catalog Number:
AG01FCT6
Chemical Name:
4-(3,4-Dibromophenyl)thiosemicarbazide
CAS Number:
183365-72-2
Molecular Formula:
C7H7Br2N3S
Molecular Weight:
325.0236
MDL Number:
MFCD18379870
IUPAC Name:
1-amino-3-(3,4-dibromophenyl)thiourea
InChI:
InChI=1S/C7H7Br2N3S/c8-5-2-1-4(3-6(5)9)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChI Key:
TYYDGMOUXDEBME-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(c(c1)Br)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.871g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.022g/mol
Monoisotopic Mass:
322.873g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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