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101309-61-9 | 1H-Pyrazole-4-carbothioamide, 5-amino-1-(2-chlorophenyl)-3-methyl-
CAS No: 101309-61-9 Catalog No: AG000476 MDL No:
Product Description
Catalog Number:
AG000476
Chemical Name:
1H-Pyrazole-4-carbothioamide, 5-amino-1-(2-chlorophenyl)-3-methyl-
CAS Number:
101309-61-9
Molecular Formula:
C11H11ClN4S
Molecular Weight:
266.7498
IUPAC Name:
5-amino-1-(2-chlorophenyl)-3-methylpyrazole-4-carbothioamide
InChI:
InChI=1S/C11H11ClN4S/c1-6-9(11(14)17)10(13)16(15-6)8-5-3-2-4-7(8)12/h2-5H,13H2,1H3,(H2,14,17)
InChI Key:
GYZSQBGITUTFGZ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1n1nc(c(c1N)C(=S)N)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.747g/mol
Monoisotopic Mass:
266.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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