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ethyl 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate

ethyl 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate structure

CAS No:
327168-51-4
Formula:
C19H22N2O2S3
Chemical Name:
ethyl 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate
Synonyms:
MLS000587316;CHEMBL1444590;HMS2589E14;ZINC8691071;STL298107;AKOS022108501;MCULE-7139569373;SMR000211249;3-carbethoxy-5,5-dimethyl-2-(N'-phenylthioureido)-4,5-dihydro-7h-thieno[2,3-c]thiopyran;327168-51-4;5,5-Dimethyl-2-(3-phenyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester;ethyl 5,5-dimethyl-2-[(phenylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate

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ethyl 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate Basic Attributes

Molecular Weight：

406.6 g/mol

Exact Mass：

406.08434147 g/mol

Characteristics

PSA：

136 Å²

XLogP3：

5.4476

Melting Point：

181 - 182 °C (ethanol)

Computed Properties

Molecular Weight:406.6
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:406.08434147
Monoisotopic Mass:406.08434147
Topological Polar Surface Area:136
Heavy Atom Count:26
Complexity:523
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 5,5-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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