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128854-08-0 | Thiourea, N-(4-cyano-1H-pyrazol-3-yl)-N'-phenyl-
CAS No: 128854-08-0 Catalog No: AG000YFV MDL No:
Product Description
Catalog Number:
AG000YFV
Chemical Name:
Thiourea, N-(4-cyano-1H-pyrazol-3-yl)-N'-phenyl-
CAS Number:
128854-08-0
Molecular Formula:
C11H9N5S
Molecular Weight:
243.2877
IUPAC Name:
1-(4-cyano-1H-pyrazol-5-yl)-3-phenylthiourea
InChI:
InChI=1S/C11H9N5S/c12-6-8-7-13-16-10(8)15-11(17)14-9-4-2-1-3-5-9/h1-5,7H,(H3,13,14,15,16,17)
InChI Key:
GVCNMAIFCPSRDS-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]nc1NC(=S)Nc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.288g/mol
Monoisotopic Mass:
243.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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