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3292-55-5 | 3h-1,2,3-benzodithiazole 2-oxide
CAS No: 3292-55-5 Catalog No: AG007IEK MDL No:
Product Description
Catalog Number:
AG007IEK
Chemical Name:
3h-1,2,3-benzodithiazole 2-oxide
CAS Number:
3292-55-5
Molecular Formula:
C6H5NOS2
Molecular Weight:
171.2400
IUPAC Name:
(2S)-3H-1,2λ4,3-benzodithiazole 2-oxide
InChI:
InChI=1S/C6H5NOS2/c8-10-7-5-3-1-2-4-6(5)9-10/h1-4,7H/t10-/m0/s1
InChI Key:
ZXKRHAKTQWHNEC-JTQLQIEISA-N
SMILES:
O=S1Nc2c(S1)cccc2
NSC Number:
91851
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.232g/mol
Monoisotopic Mass:
170.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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