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90914-35-5 | 5-Amino-3-(methylthio);-4-pyrazolecarboxamide
CAS No: 90914-35-5 Catalog No: AG003MDN MDL No:MFCD01108205
Product Description
Catalog Number:
AG003MDN
Chemical Name:
5-Amino-3-(methylthio);-4-pyrazolecarboxamide
CAS Number:
90914-35-5
Molecular Formula:
C5H8N4OS
Molecular Weight:
172.2082
MDL Number:
MFCD01108205
IUPAC Name:
5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C5H8N4OS/c1-11-5-2(4(7)10)3(6)8-9-5/h1H3,(H2,7,10)(H3,6,8,9)
InChI Key:
MBHLPIXKNRKHEE-UHFFFAOYSA-N
SMILES:
CSc1n[nH]c(c1C(=O)N)N
NSC Number:
370396
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.206g/mol
Monoisotopic Mass:
172.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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