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952340-39-5 manufacturers and suppliers on PharmaCompass

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952340-39-5
Also known as: 952340-39-5, 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridin-2-one;4-methylbenzenesulfonic acid, Schembl987415, Dtxsid10668256, Fqngdmmhuspfol-uhfffaoysa-n, 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4h)-one4-methylbenzenesulfonate
Molecular Formula
C14H17NO4S2
Molecular Weight
327.4  g/mol
InChI Key
FQNGDMMHUSPFOL-UHFFFAOYSA-N

1 2D Structure

952340-39-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;4-methylbenzenesulfonic acid
2.1.2 InChI
InChI=1S/C7H9NOS.C7H8O3S/c9-7-3-5-4-8-2-1-6(5)10-7;1-6-2-4-7(5-3-6)11(8,9)10/h3,6,8H,1-2,4H2;2-5H,1H3,(H,8,9,10)
2.1.3 InChI Key
FQNGDMMHUSPFOL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCC2=CC(=O)SC21
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 952340-39-5

2. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridin-2-one;4-methylbenzenesulfonic Acid

3. Schembl987415

4. Dtxsid10668256

5. Fqngdmmhuspfol-uhfffaoysa-n

6. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4h)-one4-methylbenzenesulfonate

7. Akos015855795

8. Ac-26986

9. Ft-0696946

10. A859116

11. J-509547

12. 5,6,7,7a-tetrahydro-4h-thieno[3,2 -c]pyridin-2-one P-toluenesulfonate

13. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]-pyridin-2-one P-toluenesulfonate

14. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridin-2-one P-toluene Sulfonate

15. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridin-2-one P-toluenesulfonate

16. 5,6,7,7a-tetrahydro-4h-thieno[3,2-c]pyridine-2-on P-toluenesulfonate

17. 4-methylbenzene-1-sulfonic Acid--5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4h)-one (1/1)

18. 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4h)-one 4-methylbenzenesulfonate (1:1)

2.3 Create Date
2010-04-16
3 Chemical and Physical Properties
Molecular Weight 327.4 g/mol
Molecular Formula C14H17NO4S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area117
Heavy Atom Count21
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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150322-73-9
Prasugrel
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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115473-15-9
Prasugrel
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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