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21327-14-0,MFCD00060440
Catalog No.:AA003J27
21327-14-0 | 1-(3-Bromophenyl)thiourea
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5g
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Technical Information
Catalog Number:
AA003J27
Chemical Name:
1-(3-Bromophenyl)thiourea
CAS Number:
21327-14-0
Molecular Formula:
C7H7BrN2S
Molecular Weight:
231.1129
MDL Number:
MFCD00060440
IUPAC Name:
(3-bromophenyl)thiourea
InChI:
InChI=1S/C7H7BrN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
XBRVSIPVHYWULW-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.951g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.111g/mol
Monoisotopic Mass:
229.951g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
1-(3-bromophenyl)thiourea 
21327-14-0 
ACMC-1CG6G 
(3-Bromo-phenyl)-thiourea 
AC1MC3Q4 
KSC546K0P 
Thiourea,N-(3-bromophenyl)- 
AC1Q502S 
SCHEMBL1621739 
CTK4E6507 
DTXSID00370836 
XBRVSIPVHYWULW-UHFFFAOYSA-N 
1-(3-Bromophenyl)-2-thiourea 
ACN-S004613 
KS-00000C9I 
ZINC2528129 
ANW-24403 
EBD213039 
MFCD00060440 
AKOS001141969 
MCULE-8770075000 
RP05548 
THIOUREA, N-(3-BROMOPHENYL)- 
(3-bromophenyl)thiourea 
TRA0033903 
NCGC00333735-01 
AJ-38224 
BC003838 
CJ-09007 
CS-11356 
SC-58156 
SC-64655 
SY017108 
1-(3-bromophenyl)-2-thiourea, AldrichCPR 
3-bromophenylthiourea 
AB0040607 
DB-018494 
TR-010008 
B4998 
CS-0037768 
FT-0638112 
ST24037198 
ST51041862 
Y8238 
EN300-15008 
N-(3-bromophenyl)thiourea 
B-7854 
AB01323492-02 
MFCD00060440 (97+%) 
A815275 
I09-2129 
W-206618 
F2167-3917 
Z114956100 
C7H7BrN2S 
1- -2-THIOUREA 
Thiourea, (3-bromophenyl)- 
ZINC02528129 
CID2735619 
amino[(3-bromophenyl)amino]methane-1-thione 
m-bromophenyl-thiourea 
PubChem14268 
Literature
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