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4-chloro-2-(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine

4-chloro-2-(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine

CAS: 54346-19-9

Formula: C6H5ClN4S

SMILES: CSC1=NC2=CC=NN2C(Cl)=N1

IUPAC: 4-chloro-2-(methylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine

InChI: InChI=1S/C6H5ClN4S/c1-12-6-9-4-2-3-8-11(4)5(7)10-6/h2-3H,1H3

Composition: C (35.92%), H (2.51%), Cl (17.67%), N (27.92%), S (15.98%)

Molar Mass: 200.64

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 199.9923451
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PDFYLKPBYWPEDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.68
Topological Polar Surface Area 43.08
Polarizability 18.49
Ring Count 2
Rotatable Bond Count 1

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97% <5 Days 54346-19-9 $68.09-$102.14$68.09$102.14
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