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1263376-55-1 | 4-(2-Bromo-4-isopropylphenyl)thiosemicarbazide
CAS No: 1263376-55-1 Catalog No: AG01FA13 MDL No:MFCD18379865
Product Description
Catalog Number:
AG01FA13
Chemical Name:
4-(2-Bromo-4-isopropylphenyl)thiosemicarbazide
CAS Number:
1263376-55-1
Molecular Formula:
C10H14BrN3S
Molecular Weight:
288.2073
MDL Number:
MFCD18379865
IUPAC Name:
1-amino-3-(2-bromo-4-propan-2-ylphenyl)thiourea
InChI:
InChI=1S/C10H14BrN3S/c1-6(2)7-3-4-9(8(11)5-7)13-10(15)14-12/h3-6H,12H2,1-2H3,(H2,13,14,15)
InChI Key:
VNIHWPRSJOEONX-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1Br)C(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.207g/mol
Monoisotopic Mass:
287.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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