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936-16-3 | 2,3-DIHYDRO-1,1-DIOXO-1,2-BENZISOTHIAZOLE
CAS No: 936-16-3 Catalog No: AG00GUVP MDL No:MFCD03426201
Product Description
Catalog Number:
AG00GUVP
Chemical Name:
2,3-DIHYDRO-1,1-DIOXO-1,2-BENZISOTHIAZOLE
CAS Number:
936-16-3
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD03426201
IUPAC Name:
2,3-dihydro-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C7H7NO2S/c9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4,8H,5H2
InChI Key:
GVYVHZKTSVDMNT-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCc2c1cccc2
UNII:
ZLO53QJF59
NSC Number:
362815
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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