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1247729-50-5 | 4-(3-Fluoro-2-methylphenyl)thiosemicarbazide
CAS No: 1247729-50-5 Catalog No: AG01FALA MDL No:MFCD16066173
Product Description
Catalog Number:
AG01FALA
Chemical Name:
4-(3-Fluoro-2-methylphenyl)thiosemicarbazide
CAS Number:
1247729-50-5
Molecular Formula:
C8H10FN3S
Molecular Weight:
199.2485
MDL Number:
MFCD16066173
IUPAC Name:
1-amino-3-(3-fluoro-2-methylphenyl)thiourea
InChI:
InChI=1S/C8H10FN3S/c1-5-6(9)3-2-4-7(5)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13)
InChI Key:
YKUVLRJPVZJFIA-UHFFFAOYSA-N
SMILES:
Cc1c(NC(=S)NN)cccc1F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.247g/mol
Monoisotopic Mass:
199.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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