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1263377-06-5 | 2-Bromo-4-ethylphenylthiourea
CAS No: 1263377-06-5 Catalog No: AG01FF5N MDL No:MFCD18379830
Product Description
Catalog Number:
AG01FF5N
Chemical Name:
2-Bromo-4-ethylphenylthiourea
CAS Number:
1263377-06-5
Molecular Formula:
C9H11BrN2S
Molecular Weight:
259.1660
MDL Number:
MFCD18379830
IUPAC Name:
(2-bromo-4-ethylphenyl)thiourea
InChI:
InChI=1S/C9H11BrN2S/c1-2-6-3-4-8(7(10)5-6)12-9(11)13/h3-5H,2H2,1H3,(H3,11,12,13)
InChI Key:
POXOKPZMLZXMEW-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)Br)NC(=S)N
Properties
Complexity:
187
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:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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