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91934-44-0 | 1,3,2-Benzodithiazol-1-ium, 5-methyl-, chloride
CAS No: 91934-44-0 Catalog No: AG00675T MDL No:
Product Description
Catalog Number:
AG00675T
Chemical Name:
1,3,2-Benzodithiazol-1-ium, 5-methyl-, chloride
CAS Number:
91934-44-0
Molecular Formula:
C7H6ClNS2
Molecular Weight:
203.7122
IUPAC Name:
5-methyl-1,3,2-benzodithiazol-1-ium;chloride
InChI:
InChI=1S/C7H6NS2.ClH/c1-5-2-3-6-7(4-5)10-8-9-6;/h2-4H,1H3;1H/q+1;/p-1
InChI Key:
YDUMWOCICVYZQN-UHFFFAOYSA-M
SMILES:
Cc1ccc2c(c1)sn[s+]2.[Cl-]
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.702g/mol
Monoisotopic Mass:
202.963g/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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