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98437-50-4 | BENZALDEHYDE, 3,5-DIBROMO-, THIOSEMICARBAZONE
CAS No: 98437-50-4 Catalog No: AG0068CA MDL No:
Product Description
Catalog Number:
AG0068CA
Chemical Name:
BENZALDEHYDE, 3,5-DIBROMO-, THIOSEMICARBAZONE
CAS Number:
98437-50-4
Molecular Formula:
C8H7Br2N3S
Molecular Weight:
337.0343
IUPAC Name:
[(3,5-dibromophenyl)methylideneamino]thiourea
InChI:
InChI=1S/C8H7Br2N3S/c9-6-1-5(2-7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)
InChI Key:
JMVWWWOFAJXURF-UHFFFAOYSA-N
SMILES:
NC(=S)NN=Cc1cc(Br)cc(c1)Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.871g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.033g/mol
Monoisotopic Mass:
334.873g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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