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ethyl 2-[(3-chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[(3-chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

CAS No:
6416-94-0
Formula:
C19H19ClN2O3S2
Chemical Name:
ethyl 2-[(3-chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonyms:
6416-94-0;ethyl 2-({[(3-chlorophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;DTXSID80365543;ZINC2277810;STK008608;AKOS001628682;MCULE-1370432724;SR-01000438674;SR-01000438674-1;297762-61-9;ethyl 2-({[(3-chlorobenzoyl)amino]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Ethyl 2-{[(3-chlorobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-[(3-chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

Molecular Weight：

423.0 g/mol

Exact Mass：

422.0525625 g/mol

DSSTox ID：

DTXSID80365543

Characteristics

PSA：

128 Å²

Computed Properties

Molecular Weight:423.0
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:422.0525625
Monoisotopic Mass:422.0525625
Topological Polar Surface Area:128
Heavy Atom Count:27
Complexity:577
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[(3-chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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