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273-83-6 | 1,2,3-Benzodithiazol-2-ium(8CI,9CI)
CAS No: 273-83-6 Catalog No: AG007L59 MDL No:
Product Description
Catalog Number:
AG007L59
Chemical Name:
1,2,3-Benzodithiazol-2-ium(8CI,9CI)
CAS Number:
273-83-6
Molecular Formula:
C6H4NS2+
Molecular Weight:
154.2327
IUPAC Name:
1,2,3-benzodithiazol-1-ium
InChI:
InChI=1S/C6H4NS2/c1-2-4-6-5(3-1)7-9-8-6/h1-4H/q+1
InChI Key:
ADDGJOANLSJTMC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)s[s+]n2
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.979g/mol
Formal Charge:
1
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.225g/mol
Monoisotopic Mass:
153.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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