Home Nitriles 1,3-dimethyl-5-(methylsulfanyl)-1H-pyrazole-4-carbonitrile

1,3-dimethyl-5-(methylsulfanyl)-1H-pyrazole-4-carbonitrile

CAS No.:
1340235-17-7
Catalog Number:
AG01A6VL
Molecular Formula:
C7H9N3S
Molecular Weight:
167.2315
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Product Description
Catalog Number:
AG01A6VL
Chemical Name:
1,3-dimethyl-5-(methylsulfanyl)-1H-pyrazole-4-carbonitrile
CAS Number:
1340235-17-7
Molecular Formula:
C7H9N3S
Molecular Weight:
167.2315
MDL Number:
MFCD18879342
IUPAC Name:
1,3-dimethyl-5-methylsulfanylpyrazole-4-carbonitrile
InChI:
InChI=1S/C7H9N3S/c1-5-6(4-8)7(11-3)10(2)9-5/h1-3H3
InChI Key:
OUYIZAJRHGHUQJ-UHFFFAOYSA-N
SMILES:
CSc1n(C)nc(c1C#N)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.23g/mol
Monoisotopic Mass:
167.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties