Home Halogens [(4-bromophenyl)methyl]thiourea

[(4-bromophenyl)methyl]thiourea

CAS No.:
89980-86-9
Catalog Number:
AG01A5Q2
Molecular Formula:
C8H9BrN2S
Molecular Weight:
245.1395
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Product Description
Catalog Number:
AG01A5Q2
Chemical Name:
[(4-bromophenyl)methyl]thiourea
CAS Number:
89980-86-9
Molecular Formula:
C8H9BrN2S
Molecular Weight:
245.1395
MDL Number:
MFCD14648215
IUPAC Name:
(4-bromophenyl)methylthiourea
InChI:
InChI=1S/C8H9BrN2S/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChI Key:
QGVQYFXSPFPZCX-UHFFFAOYSA-N
SMILES:
NC(=S)NCc1ccc(cc1)Br
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.138g/mol
Monoisotopic Mass:
243.967g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties