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1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(4-ethoxyphenyl)thiourea

1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(4-ethoxyphenyl)thiourea structure

CAS No:
69326-94-9
Formula:
C17H19N3O4S
Chemical Name:
1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(4-ethoxyphenyl)thiourea
Synonyms:
Hydrazinecarbothioamide,N-(4-ethoxyphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene); 4-(p-Ethoxyphenyl)-1-(2,3,4-trihydroxyacetophenone)-3-thiosemicarbazone; Acetophenone,2,3,4-trihydroxy-,4-(p-ethoxyphenyl)-3-thiosemicarbazone; N-(4-Ethoxyphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)hydrazinecarbothioamide;

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1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(4-ethoxyphenyl)thiourea Basic Attributes

Molecular Weight：

361.41500

Exact Mass：

361.10962727

Characteristics

PSA：

141.98000

XLogP3：

3.49200

Density：

1.455g/cm3

Boiling Point：

460.7ºC at 760 mmHg

Flash Point：

232.4ºC

Refractive Index：

1.725

Computed Properties

Molecular Weight:361.4
XLogP3:2.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:361.10962727
Monoisotopic Mass:361.10962727
Topological Polar Surface Area:138
Heavy Atom Count:25
Complexity:469
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(4-ethoxyphenyl)thiourea

Basic Attributes
Characteristics
Computed Properties

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