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Also known as: 174139-69-6, 6-chloro-1,1-dioxo-2,3-dihydrothieno[3,2-e]thiazin-4-one, 6-chloro-2h-thieno[3,2-e][1,2]-thiazin-4(3h)-one 1,1-dioxide, 6-chloro-2,3-dihydro-4h-thieno[3,2-e][1,2]thiazin-4-one 1,1-dioxide, 6-chloro-2h-thieno[3,2-e][1,2]thiazin-4(3h)-one1,1-dioxide, Schembl9267866
Molecular Formula
C6H4ClNO3S2
Molecular Weight
237.7  g/mol
InChI Key
LZNHLQJIPKRFIH-UHFFFAOYSA-N

CAS 174139-69-6
1 2D Structure

CAS 174139-69-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chloro-1,1-dioxo-2,3-dihydrothieno[3,2-e]thiazin-4-one
2.1.2 InChI
InChI=1S/C6H4ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,8H,2H2
2.1.3 InChI Key
LZNHLQJIPKRFIH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(=O)C2=C(SC(=C2)Cl)S(=O)(=O)N1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 174139-69-6

2. 6-chloro-1,1-dioxo-2,3-dihydrothieno[3,2-e]thiazin-4-one

3. 6-chloro-2h-thieno[3,2-e][1,2]-thiazin-4(3h)-one 1,1-dioxide

4. 6-chloro-2,3-dihydro-4h-thieno[3,2-e][1,2]thiazin-4-one 1,1-dioxide

5. 6-chloro-2h-thieno[3,2-e][1,2]thiazin-4(3h)-one1,1-dioxide

6. Schembl9267866

7. Dtxsid90586287

8. Akos000282121

9. A851716

10. 6-chloro-2,3-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1,4-trione

2.3 Create Date
2007-07-31
3 Chemical and Physical Properties
Molecular Weight 237.7 g/mol
Molecular Formula C6H4ClNO3S2
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area99.9
Heavy Atom Count13
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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