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Home > Bromides > 1239785-38-6
1239785-38-6 | 4-Bromo-3,5-dimethylphenylthiourea
CAS No: 1239785-38-6 Catalog No: AG01FE3S MDL No:MFCD16874143
Product Description
Catalog Number:
AG01FE3S
Chemical Name:
4-Bromo-3,5-dimethylphenylthiourea
CAS Number:
1239785-38-6
Molecular Formula:
C9H11BrN2S
Molecular Weight:
259.1660
MDL Number:
MFCD16874143
IUPAC Name:
(4-bromo-3,5-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H11BrN2S/c1-5-3-7(12-9(11)13)4-6(2)8(5)10/h3-4H,1-2H3,(H3,11,12,13)
InChI Key:
YXZLXZIDXBIPGX-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(C)c(c(c1)C)Br
Properties
Complexity:
186
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:
3.3
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