3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carbonitrile

3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carbonitrile

CAS: 72760-85-1

Formula: C5H6N4S

SMILES: CSC1=C(C#N)C(N)=NN1

IUPAC: 3-amino-5-(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)

Composition: C (38.95%), H (3.92%), N (36.34%), S (20.79%)

Molar Mass: 154.19

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.031317383
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IUVUVQGOSHLPJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.49
Topological Polar Surface Area	78.49
Polarizability	15.03
Ring Count	1
Rotatable Bond Count	1

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