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1935644-93-1 | 2H,3H-1lambda6-thieno[3,2-d][1,2]thiazole-1,1-dione
CAS No: 1935644-93-1 Catalog No: AG01BBJ0 MDL No:
Product Description
Catalog Number:
AG01BBJ0
Chemical Name:
2H,3H-1lambda6-thieno[3,2-d][1,2]thiazole-1,1-dione
CAS Number:
1935644-93-1
Molecular Formula:
C5H5NO2S2
Molecular Weight:
175.2287
IUPAC Name:
2,3-dihydrothieno[3,2-d][1,2]thiazole 1,1-dioxide
InChI:
InChI=1S/C5H5NO2S2/c7-10(8)5-4(3-6-10)1-2-9-5/h1-2,6H,3H2
InChI Key:
ZWMYFLZDNDCAFE-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCc2c1scc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.22g/mol
Monoisotopic Mass:
174.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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