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2646-31-3 | Hydrazinecarbothioamide, N-(4-bromophenyl)-
CAS No: 2646-31-3 Catalog No: AG002TB4 MDL No:MFCD00060578
Product Description
Catalog Number:
AG002TB4
Chemical Name:
Hydrazinecarbothioamide, N-(4-bromophenyl)-
CAS Number:
2646-31-3
Molecular Formula:
C7H8BrN3S
Molecular Weight:
246.1275
MDL Number:
MFCD00060578
IUPAC Name:
1-amino-3-(4-bromophenyl)thiourea
InChI:
InChI=1S/C7H8BrN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChI Key:
ACKSCWQUPJXVIC-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.962g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.126g/mol
Monoisotopic Mass:
244.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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