Home Aminos 5-amino-3-methylthio-4-cyano-1-methyl-1H pyrazole

5-amino-3-methylthio-4-cyano-1-methyl-1H pyrazole

CAS No.:
151291-04-2
Catalog Number:
AG00AU94
Molecular Formula:
C6H8N4S
Molecular Weight:
168.2195
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Product Description
Catalog Number:
AG00AU94
Chemical Name:
5-amino-3-methylthio-4-cyano-1-methyl-1H pyrazole
CAS Number:
151291-04-2
Molecular Formula:
C6H8N4S
Molecular Weight:
168.2195
MDL Number:
MFCD07325335
IUPAC Name:
5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbonitrile
InChI:
InChI=1S/C6H8N4S/c1-10-5(8)4(3-7)6(9-10)11-2/h8H2,1-2H3
InChI Key:
PBHPVIUZRXBSQN-UHFFFAOYSA-N
SMILES:
CSc1nn(c(c1C#N)N)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.047g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.218g/mol
Monoisotopic Mass:
168.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties