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1-[(3-bromo-4-ethoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea

1-[(3-bromo-4-ethoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea structure

CAS No:
186453-56-5
Formula:
C17H18BrN3O2S
Chemical Name:
1-[(3-bromo-4-ethoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
Synonyms:
N-((3-Bromo-4-ethoxyphenyl)methyl)-2-((2-hydroxyphenyl)methylene)hydrazinecarbothioamide; Hydrazinecarbothioamide,N-((3-bromo-4-ethoxyphenyl)methyl)-2-((2-hydroxyphenyl)methylene);

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1-[(3-bromo-4-ethoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Basic Attributes

Molecular Weight：

408.31300

Exact Mass：

407.03031

Characteristics

PSA：

101.52000

XLogP3：

4.08860

Density：

1.5g/cm3

Boiling Point：

531.1ºC

Flash Point：

275ºC

Refractive Index：

1.69

Vapor Pressure：

2.3E-11mmHg at 25°C

Computed Properties

Molecular Weight:408.3
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:407.03031
Monoisotopic Mass:407.03031
Topological Polar Surface Area:98
Heavy Atom Count:24
Complexity:425
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(3-bromo-4-ethoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea

Basic Attributes
Characteristics
Computed Properties

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