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Home > Bromides > 1263377-22-5
1263377-22-5 | 4-(2-Bromo-4-ethylphenyl)thiosemicarbazide
CAS No: 1263377-22-5 Catalog No: AG01FB7T MDL No:MFCD18379831
Product Description
Catalog Number:
AG01FB7T
Chemical Name:
4-(2-Bromo-4-ethylphenyl)thiosemicarbazide
CAS Number:
1263377-22-5
Molecular Formula:
C9H12BrN3S
Molecular Weight:
274.1807
MDL Number:
MFCD18379831
IUPAC Name:
1-amino-3-(2-bromo-4-ethylphenyl)thiourea
InChI:
InChI=1S/C9H12BrN3S/c1-2-6-3-4-8(7(10)5-6)12-9(14)13-11/h3-5H,2,11H2,1H3,(H2,12,13,14)
InChI Key:
XJTMLJMMFDVNBP-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1Br)CC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.18g/mol
Monoisotopic Mass:
272.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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