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

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

CAS No:
186453-53-2
Formula:
C18H21N3O2S
Chemical Name:
1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
Synonyms:
2-((2-Hydroxyphenyl)methylene)-N-((4-(1-methylethoxy)phenyl)methyl)hydrazinecarbothioamide; Hydrazinecarbothioamide,2-((2-hydroxyphenyl)methylene)-N-((4-(1-methylethoxy)phenyl)methyl);

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

Molecular Weight：

343.44300

Exact Mass：

343.13544809

Characteristics

PSA：

101.52000

XLogP3：

3.71460

Density：

1.259g/cm3

Boiling Point：

496.3ºC

Flash Point：

253.9ºC

Refractive Index：

1.662

Vapor Pressure：

5.48E-10mmHg at 25°C

Computed Properties

Molecular Weight:343.4
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:343.13544809
Monoisotopic Mass:343.13544809
Topological Polar Surface Area:98
Heavy Atom Count:24
Complexity:409
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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