methyl 3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carboxylate

methyl 3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carboxylate

CAS: 117717-02-9

Formula: C6H9N3O2S

SMILES: COC(=O)C1=C(NN=C1N)SC

IUPAC: methyl 3-amino-5-(methylsulfanyl)-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C6H9N3O2S/c1-11-6(10)3-4(7)8-9-5(3)12-2/h1-2H3,(H3,7,8,9)

Composition: C (38.49%), H (4.85%), N (22.45%), O (17.09%), S (17.12%)

Molar Mass: 187.22

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.041547716
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RRLHIQKEAKEFCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.8
Topological Polar Surface Area	81
Polarizability	17.68
Ring Count	1
Rotatable Bond Count	3

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95%	<7 Days	117717-02-9		$254.80$254.80