5-(4-sec-butoxybenzylidene)-3-[2-(4-morpholinyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

CAS No.: 15291-77-7

Molecular Weight：424.402

Modify Date.: 2022-03-23 11:24

1. Names and Identifiers

1.1 Name: 5-(4-sec-butoxybenzylidene)-3-[2-(4-morpholinyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

2. Properties

3. Safety and Handling

4. MSDS

Skin irritation, Category 2

Eye irritation, Category 2

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

none

5. Computational chemical data

Molecular Weight: 424.402g/mol
Molecular Formula: C_₁₇H_₁₆N_₂O_₂S
Compound Is Canonicalized: True
XLogP3-AA: -0.4
Exact Mass: 424.13694696
Monoisotopic Mass: 424.13694696
Complexity: 925
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 10
Topological Polar Surface Area: 149
Heavy Atom Count: 30
Defined Atom Stereocenter Count: 11
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB4PAAAAAAAAAAAAAAAAAAAAaNEiRAAAAAAAAASJAAAAAAAGgAACAAAD1SwgAMCCAAABgAIAACQCAIAAAAAAAAAAAFAAAAREBYAAAQiQAAFIAAHAAHK7vzPgAAAAAAAAAAAAAAAAAAAAYQADCAAAA==

7. Realated Product Infomation

591745-03-8 5-(2-sec-butoxybenzylidene)-1,3-thiazolidine-2,4-dione

1218776-92-1 5-(4-butoxybenzylidene)-1,3-thiazolidine-2,4-dione

86366-65-6 5-sec-butylidene-thiazolidine-2,4-dione|5-sec-Butyliden-thiazolidin-2,4-dion

930765-07-4 (E,Z)-3-(4-butoxybenzylidene)tetrahydrofuran-2,4-dione

112095-74-6 N-(4-butoxybenzylidene)-N-{4-[(4-butoxybenzylidene)amino]phenyl}amine

79048-86-5 n-(4-butoxybenzylidene)-n-{4-[(4-butoxybenzylidene)amino]phenyl}amine

5538-22-7 5-(2-butoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

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