Indian Tex Dyes Industries

KJZXYHPZWRDLAR-JIJBYVMQSA-N

Chemistry, 2 End Use API, 20 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: Amy38837, Bcp10904

Molecular Formula

C₂₀H₃₄N₂O₇S

Molecular Weight

446.6 g/mol

InChI Key

KJZXYHPZWRDLAR-JIJBYVMQSA-N

1 2D Structure

KJZXYHPZWRDLAR-JIJBYVMQSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-acetamido-4-methylpentanoate;[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]azanium

2.1.2 InChI

InChI=1S/C12H19NO4S.C8H15NO3/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15;1-5(2)4-7(8(11)12)9-6(3)10/h5-7,10H,4,8,13H2,1-3H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t10-;7-/m10/s1

2.1.3 InChI Key

KJZXYHPZWRDLAR-JIJBYVMQSA-N

2.1.4 Canonical SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)[NH3+])OC.CC(C)CC(C(=O)[O-])NC(=O)C

2.1.5 Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)[NH3+])OC.CC(C)C[C@@H](C(=O)[O-])NC(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Amy38837

2. Bcp10904

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₄N₂O₇S
Molecular Weight	446.6 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	446.20867260 g/mol
Monoisotopic Mass	446.20867260 g/mol
Topological Polar Surface Area	158 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	510
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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$Indian Tex Dyes Industries$

India

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Digital Content

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2- (methylsulfonyl)eth...

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CAS Number

608141-42-0

End Use API

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.

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