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72760-85-1,MFCD00052745
Catalog No.:AA003ITD
72760-85-1 | 3-Amino-5-(methylthio)pyrazole-4-carbonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$135.00   $94.00
- +
5g
97%
1 week  
$302.00   $211.00
- +
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ITD
Chemical Name:
3-Amino-5-(methylthio)pyrazole-4-carbonitrile
CAS Number:
72760-85-1
Molecular Formula:
C5H6N4S
Molecular Weight:
154.1929
MDL Number:
MFCD00052745
IUPAC Name:
5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C5H6N4S/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9)
InChI Key:
IUVUVQGOSHLPJV-UHFFFAOYSA-N
SMILES:
CSc1[nH]nc(c1C#N)N
Properties
Computed Properties
 
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.031g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.191g/mol
Monoisotopic Mass:
154.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
72760-85-1 
3-Amino-5-(methylthio)-1H-pyrazole-4-carbonitrile 
1H-Pyrazole-4-carbonitrile,3-amino-5-(methylthio)- 
5-Amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile 
ASN 12371813 
AC1LEHL6 
AC1Q4R9H 
1h-pyrazole-4-carbonitrile, 3-amino-5-(methylthio)- 
SCHEMBL3749343 
CTK5D6772 
DTXSID60352956 
IUVUVQGOSHLPJV-UHFFFAOYSA-N 
3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE 
HMS1700L11 
ZINC4992715 
1291AC 
SBB028313 
STK009133 
AKOS000538552 
AKOS002391191 
MCULE-3746011532 
VP20074 
3-Amino-4-cyano-5-(methylthio)pyrazole 
3-Amino-4-cyano-5-methylthiopyrazole 
AJ-52836 
AK115562 
BC289583 
CC-14131 
SC-82700 
3-Amino-4-cyano-5-methylthio-1H-pyrazole 
3-amino-5-methylthiopyrazole-4-carbonitrile 
5-Amino-4-cyano-3-methylthio-1H-pyrazole 
AX8002764 
DB-022229 
5-amino-3-(methylthio)-1H-pyrazole-4-carbonitrile 
4CH-000714 
FT-0641421 
ST24041756 
ST50316027 
5-Amino-3-methylthio-1H-pyrazole-4-carbonitrile 
A837609 
C-03348 
3-amino-5-methylsulfanyl-1H-pyrazole-4-carbonitrile 
I09-3207 
5-azanyl-3-methylsulfanyl-1H-pyrazole-4-carbonitrile 
3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile 
A4103/0174937 
C5H6N4S 
AR-1C3852 
CID736200 
A-2545 
3-Amino-5-(methylthio)pyrazole-4-carbonitrile, 97% 1g 
73500-89-7 
MFCD00052745 
5-amino-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile 
5-amino-3-methylthiopyrazole-4-carbonitrile 
1220856-99-4 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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