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930396-08-0 | (4-bromo-3-methylphenyl)thiourea
CAS No: 930396-08-0 Catalog No: AG019QBD MDL No:MFCD09702295
Product Description
Catalog Number:
AG019QBD
Chemical Name:
(4-bromo-3-methylphenyl)thiourea
CAS Number:
930396-08-0
Molecular Formula:
C8H9BrN2S
Molecular Weight:
245.1395
MDL Number:
MFCD09702295
IUPAC Name:
(4-bromo-3-methylphenyl)thiourea
InChI:
InChI=1S/C8H9BrN2S/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)
InChI Key:
AXOOLCWORPVHEQ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(c(c1)C)Br
Properties
Complexity:
174
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:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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