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Home> Hot Product Listed T   > Thieno[2,3-f]-1,4-oxazepin-5-amine,3-ethyl-2,3-dihydro-2-methyl-, (2R,3R)-
112529-15-4 structure

Thieno[2,3-f]-1,4-oxazepin-5-amine,3-ethyl-2,3-dihydro-2-methyl-, (2R,3R)-

Iupac Name:5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CAS No.:112529-15-4
Molecular Weight:392.90000
Molecular Formula:C7H15NS (isomer)
Names and Identifiers
Synonyms

(2r,3r)-3-ethyl-2-methyl-2h,3h-thieno[2,3-f][1,4]oxazepin-5-amine thieno[2,3-f]-1,4-oxazepin-5-amine, 3-ethyl-2,3-dihydro-2-methyl-, (2r,3r)- (9ci) thieno[2,3-f]-1,4-oxazepin-5-amine,3-ethyl-2,3-dihydro-2-methyl-, -

Inchi
InChI=1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H
InChkey
GHUUBYQTCDQWRA-UHFFFAOYSA-N
Canonical Smiles
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3.Cl
Properties
Melting Point
193-194ºC
Vapour
0mmHg at 25°C
Refractive Index
1.64
Flash Point
71.9°C
HS Code
2933990090
Safety and Handling
Risk Statements
R36/38
Safety Statements
S22; S24/25
HazardClass
IRRITANT
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:392.90000g/mol
  • Molecular Formula:C7H15NS
  • Compound Is Canonicalized:True
  • Exact Mass:392.096
  • Monoisotopic Mass:392.096
  • Complexity:466
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:93.6A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7MABEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgQQAAAADAzl3ga+hpLIFAio AzV3VACCiCBxIjAI2CE+bJgMJvLksZuGOCjm1DHI6AeYyOCOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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