Beijing Mesochem Technology

CAS 161797-99-5

Chemistry, 4 End Use API, 33 Related Intermediates

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Also known as:

Molecular Formula

C₁₃H₁₃NO₃S

Molecular Weight

263.31 g/mol

InChI Key

VBAMDWNNTNVLAV-UHFFFAOYSA-N

1 2D Structure

CAS 161797-99-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 4-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylate

2.1.2 InChI

InChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9/h4-7,14H,3H2,1-2H3

2.1.3 InChI Key

VBAMDWNNTNVLAV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(NC(=C2C=CC(=O)C=C2)S1)C

2.1.5 Isomeric SMILES

CCOC(=O)C1=C(NC(=C2C=CC(=O)C=C2)S1)C

2.2 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₃NO₃S
Molecular Weight	263.31 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	263.06161445 g/mol
Monoisotopic Mass	263.06161445 g/mol
Topological Polar Surface Area	80.7 A^2
Heavy Atom Count	18
Formal Charge	0
Complexity	508
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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Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-c...

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CAS Number

CAS-161798-01-2

End Use API

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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