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CAS 174139-69-6

CAS 174139-69-6

Chemistry, 1 End Use API, 16 Related Intermediates

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CAS 174139-69-6

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

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 Formula	C₆H₄ClNO₃S₂
Molecular Weight	237.7 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	99.9
Heavy Atom Count	13
Formal Charge	0
Complexity	336
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

174139-69-6

Intermediate Name

6-Chloro-2,3-dihydro-4H-thieno[3,2-...

About the Company

The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufactur...

The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufacture of high-quality Active Pharmaceutical Ingredients (APIs), Intermediates, and Speciality Chemicals. Since our inception in 1975, we have grown to become world leaders in the area of xanthine chemistry. They specialize in manufacturing APIs such as Linagliptin, Pentoxifylline, Theobromine, Doxofylline, Caffeine, Pamabrom, and others.

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