 Home > Encyclopedia > 1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile structure

CAS No:
7065-11-4
Formula:
C32H32ClN5O2S2
Chemical Name:
1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
Synonyms:
N,N-Diethylamino-N'-trimethylenacrylamid; 1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile;

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1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile Basic Attributes

Molecular Weight：

618.21200

Exact Mass：

184.157563266

Characteristics

PSA：

129.97000

XLogP3：

6.27778

Density：

1.4g/cm3

Boiling Point：

643.3ºC at 760 mmHg

Flash Point：

342.9ºC

Refractive Index：

1.712

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:184.28
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:184.157563266
Monoisotopic Mass:184.157563266
Topological Polar Surface Area:32.3
Heavy Atom Count:13
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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