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198058-17-2 | 2-methyl-2H-1,3,2-benzodithiazole
CAS No: 198058-17-2 Catalog No: AG01C57C MDL No:MFCD25960670
Product Description
Catalog Number:
AG01C57C
Chemical Name:
2-methyl-2H-1,3,2-benzodithiazole
CAS Number:
198058-17-2
Molecular Formula:
C7H7NS2
Molecular Weight:
169.2672
MDL Number:
MFCD25960670
IUPAC Name:
2-methyl-1,3,2-benzodithiazole
InChI:
InChI=1S/C7H7NS2/c1-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3
InChI Key:
PYQZQXUQIZBMJE-UHFFFAOYSA-N
SMILES:
CN1Sc2c(S1)cccc2
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.002g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.26g/mol
Monoisotopic Mass:
169.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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