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129852-36-4 | 1H-Pyrazole-4-carbonitrile, 3-amino-5-(2-thienyl)-
CAS No: 129852-36-4 Catalog No: AG000TRH MDL No:
Product Description
Catalog Number:
AG000TRH
Chemical Name:
1H-Pyrazole-4-carbonitrile, 3-amino-5-(2-thienyl)-
CAS Number:
129852-36-4
Molecular Formula:
C8H6N4S
Molecular Weight:
190.2250
IUPAC Name:
3-amino-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C8H6N4S/c9-4-5-7(11-12-8(5)10)6-2-1-3-13-6/h1-3H,(H3,10,11,12)
InChI Key:
QMDDOPMFGPBAHY-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)n[nH]c1c1cccs1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.224g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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