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2-((3,3-Dibutyl-7-(Methylthio)-1,1-Dioxido-5-Phenyl-2,3,4,5-Tetrahydrobenzo[B][1,4]Thiazepin-8-Yl)Oxy)Acetic Acid

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2-((3,3-Dibutyl-7-(Methylthio)-1,1-Dioxido-5-Phenyl-2,3,4,5-Tetrahydrobenzo[b][1,4]Thiazepin-8-yl)oxy)Acetic acid / CAS : 439088-13-8

Appearance - UN -
HS 29420000 DG Class -
Synonyms 1,1-Dioxo-3,3-Dibutyl-5-Phenyl-7-Methylthio-8-Carboxymethoxy-2,3,4,5-Tetrahydro-1,5-Benzothiazepine; 3,3-Dibutyl-7-Methylthio-8-Carboxymethoxy-5-Phenyl-2,3,4,5-Tetrahydro-Benzo[b][1,4]Thiazepine 1,1-Dioxide
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Properties

Summary

Formula
C26H35NO5S2
Molecular Mass
505.69000
Exact Mass
505.19600
PSA
117.59000
Logp
7.30990
IUPAC
2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetic acid
SMILES
CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)O)SC)C3=CC=CC=C3)CCCC

Attribute classification

Matter Classification
organic
Category
Organic Chemical Materials > Heterocyclic Compounds

Chemical and Physical Properties

Density
1.27±0.1 g/cm3(Predicted)
Boiling Point
695.3±55.0 °C(Predicted)

Export information

HS Code
29420000
Export Rebate
13%

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