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724426-09-9 | 2-Bromo-4,6-dimethylphenylthiourea
CAS No: 724426-09-9 Catalog No: AG01EX3S MDL No:MFCD18379829
Product Description
Catalog Number:
AG01EX3S
Chemical Name:
2-Bromo-4,6-dimethylphenylthiourea
CAS Number:
724426-09-9
Molecular Formula:
C9H11BrN2S
Molecular Weight:
259.1660
MDL Number:
MFCD18379829
IUPAC Name:
(2-bromo-4,6-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H11BrN2S/c1-5-3-6(2)8(7(10)4-5)12-9(11)13/h3-4H,1-2H3,(H3,11,12,13)
InChI Key:
ZLQZWZJOOWAYCG-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c(C)cc(cc1Br)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.165g/mol
Monoisotopic Mass:
257.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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