6,6-Dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-oxo-1-carboxylic acid, tech.
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6,6-Dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-oxo-1-carboxylic acid, tech.
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CAS No:
172516-41-5
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Formula:
C12H14O3S2
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Chemical Name:
6,6-Dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-oxo-1-carboxylic acid, tech.
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Synonyms:
6,6-dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid;6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetra-hydrobenzo[c]thiophene-1-carboxylic acid;SBB053495;6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid;6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid;Benzo[c]thiophene-1-carboxylicacid, 4,5,6,7-tetrahydro-6,6-dimethyl-3-(methylthio)-4-oxo-;MLS001060791;SCHEMBL4401833;CHEMBL2141310;CHEBI:93049
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CAS No:
Description
6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid is a thiophenecarboxylic acid.
6,6-Dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-oxo-1-carboxylic acid, tech. Basic Attributes
270.37
270.038
DTXSID60384833
2934999090
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Computed Properties
Molecular Weight:270.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:270.03843665
Monoisotopic Mass:270.03843665
Topological Polar Surface Area:108
Heavy Atom Count:17
Complexity:354
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6,6-Dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-oxo-1-carboxylic acid, tech.
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