Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-Thiazolidinone,3-(4-chloro-3-methylphenyl)-5-methyl-2-thioxo-
1217826-94-2 structure

4-Thiazolidinone,3-(4-chloro-3-methylphenyl)-5-methyl-2-thioxo-

Iupac Name:tert-butyl (2R)-2-(methylcarbamoyl)piperazine-1-carboxylate;hydrochloride
CAS No.:1217826-94-2
Molecular Weight:279.765
Molecular Formula:C16H13N3O2 (isomer)
Names and Identifiers
Synonyms

3-(4-chloro-3-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one 3-(4-chloro-3-methylphenyl)-5-methyl-2-thioxo-1,3-thiazolidin-4-one AC1L4RCG AC1Q7FCE AKOS030552196 CTK4F1670 HE152472 LS-143582 Rhodanine,3-(4-chloro-m-tolyl)-5-methyl- (8CI)

Inchi
InChI=1S/C11H21N3O3.ClH/c1-11(2,3)17-10(16)14-6-5-13-7-8(14)9(15)12-4;/h8,13H,5-7H2,1-4H3,(H,12,15);1H/t8-;/m1./s1
InChkey
GYZBGDIBGDZKLS-DDWIOCJRSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCNCC1C(=O)NC.Cl
Properties
Density
1.075
Boiling Point
273.4°C at 760 mmHg
Flash Point
143°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:279.765g/mol
  • Molecular Formula:C16H13N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:279.135
  • Monoisotopic Mass:279.135
  • Complexity:299
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70.7A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADGzBgAQCCAPABAAI AAEQGAAAAAAAAAAAAIGIAAAAQAgAQCAcAAAAFgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-25-66112885
  • Fax:86-25-66112885
 
<