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89088-58-4 | 5H-Pyrazolo[3,4-d]-1,2,3-dithiazol-2-ium, 5-methyl-, chloride
CAS No: 89088-58-4 Catalog No: AG003Z1Y MDL No:
Product Description
Catalog Number:
AG003Z1Y
Chemical Name:
5H-Pyrazolo[3,4-d]-1,2,3-dithiazol-2-ium, 5-methyl-, chloride
CAS Number:
89088-58-4
Molecular Formula:
C4H4ClN3S2
Molecular Weight:
193.6777
IUPAC Name:
5-methylpyrazolo[3,4-d]dithiazol-5-ium;chloride
InChI:
InChI=1S/C4H4N3S2.ClH/c1-7-2-3-4(5-7)6-9-8-3;/h2H,1H3;1H/q+1;/p-1
InChI Key:
MEBNGDASJOIYOS-UHFFFAOYSA-M
SMILES:
Cn1nc2c(c1)s[s+]n2.[Cl-]
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.667g/mol
Monoisotopic Mass:
192.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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