Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4-Thiazolidinone,5-[2-(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-3-(2-propen-1-...
3783-77-5 structure

4-Thiazolidinone,5-[2-(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-3-(2-propen-1-yl)-2-thioxo-

Iupac Name:2-(3-oxobutyl)isoindole-1,3-dione
CAS No.:3783-77-5
Molecular Weight:217.224
Molecular Formula:C12H7CLO2 (isomer)
Names and Identifiers
Synonyms

(5z)-5-{2-[(5e)-1-ethyl-4-methyl-1,2,3,4-tetrazol-5-ylidene]ethylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one 2,4-Thiazolidinedione,3-allyl-5-[(1-ethyl-4-methyl-2-tetrazolin-5-ylidene)ethylidene]-2-thio- (8CI) 3-allyl-5-[2-(1-ethyl-4-methyl-1,4-dihydro-5h-tetrazol-5-ylidene)ethylidene]rhodanine 3-Propenyl-5-[(1,4-dimethyldihydrotetrazolyl)ethylidene]rhodanine 4-Thiazolidinone,5-[(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-3-(2-propenyl)-2-thioxo-(9CI) 5-[2-(1-ethyl-4-methyltetrazol-5-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one acm24738190 Rhodanine,3-allyl-5-[2-(1-ethyl-4-methyl-2-tetrazolin-5-ylidene)ethylidene]- (6CI)

Inchi
InChI=1S/C12H11NO3/c1-8(14)6-7-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3
InChkey
ONTXCMXICQNNNO-UHFFFAOYSA-N
Canonical Smiles
CC(=O)CCN1C(=O)C2=CC=CC=C2C1=O
Properties
Density
1.34
Boiling Point
600.2°C at 760 mmHg
Refractive Index
1.574
Flash Point
170.807°C
HS Code
2925190090
Reach Info
Computational chemical data
  • Molecular Weight:217.224g/mol
  • Molecular Formula:C12H7CLO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.1
  • Exact Mass:217.074
  • Monoisotopic Mass:217.074
  • Complexity:313
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.4A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAAAAAADATBmAQyAIMAAACI AqFSEACCAAAkAAAIiAEIBMgIIDqAlRGEIQhghiCIiYcdiICOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:852-852-81916999
  • Fax:
 
<