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Home > Encyclopedia > Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)

Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)

Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) structure

Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) 

structure
  • CAS No:

    588714-79-8

  • Formula:

    C21H21N3O3S3

  • Chemical Name:

    Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)

  • Synonyms:

    STK436981;AKOS003324985;MCULE-8254089368;ST50844247;methyl 2-({[(benzo[b]thiophen-3-ylcarbonylamino)amino]thioxomethyl}amino)-6-me thyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;Methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate;methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) Basic Attributes

459.60474

459.075

Characteristics

168

5.8

Computed Properties

Molecular Weight:459.6
XLogP3:5.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:459.07450506
Monoisotopic Mass:459.07450506
Topological Polar Surface Area:168
Heavy Atom Count:30
Complexity:679
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)

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