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Home> Encyclopedia > Hot Product Listed 4   > 4H-1,3,5-Dithiazine,dihydro-4,6-dimethyl-2-(2-methylpropyl)-
115473-15-9 structure

4H-1,3,5-Dithiazine,dihydro-4,6-dimethyl-2-(2-methylpropyl)-

Iupac Name:5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one;hydrochloride
CAS No.:115473-15-9
Molecular Weight:191.673
Molecular Formula:C17H20N2O4 (isomer)
Names and Identifiers
Synonyms

1,3,5-dithiazine, perhydro, 4,6-dimethyl-2-(2-methylpropyl) 2,4-Dimethyl-6-isobutyl-1,3,5-dithiazine 2-isobutyl-4,6-dimethyl-1,3,5-dithiazinane 2-Isobutyl-4,6-dimethyldihydro-4H-1,3,5-dithiazine 2-Isobutyl-4,6-dimethyldihydro-4H-1,3,5-dithiazine >=80.0% 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane 4.6-Dimethyldihydro-4H--2-Isobutyl -1.3.5-dithiazine 4.6-Dimethyldihydro-4H--2-Isobutyl-1.3.5-dithiazine AB1006059 AC1LB4GD AC1Q7FVE AN-34232 DB-003281 dihydro-4,6-dimethyl-2-(2-methylpropyl)-4h-1,3,5-dithiazine FVPPILNIVWRBNY-UHFFFAOYSA-N SCHEMBL10515734

Inchi
InChI=1S/C7H9NOS.ClH/c9-7-3-5-4-8-2-1-6(5)10-7;/h3,6,8H,1-2,4H2;1H
InChkey
PUQKTVAKLPDUAW-UHFFFAOYSA-N
Canonical Smiles
C1CNCC2=CC(=O)SC21.Cl
Properties
Melting Point
2100 oC
Flash Point
195 ºC
HS Code
29349990
Safety and Handling
Safety Statements
24/25
HazardClass
IRRITANT
Specification

 2-Isobutyl-4,6-dimethyldihydro-4H-1,3,5-dithiazine (CAS NO.101517-87-7), its Synonyms are 4H-1,3,5-Dithiazine,dihydro-4,6-dimethyl-2-(2-methylpropyl)- ; 1,3,5-Dithiazine, perhydro, 4,6-dimethyl-2-(2-methylpropyl) .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

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

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:191.673g/mol
  • Molecular Formula:C17H20N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:191.017
  • Monoisotopic Mass:191.017
  • Complexity:200
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.4A^2
  • Heavy Atom Count:11
  • 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: AAADccBiIABEAAAAAAAAAAAAAAAAAQAAAAAsAAAAAAAAAEAAAAAAHgQQAAAADADFwASAAALAAAiI AiBSAACAAAAgABAACIAIAEgAAAIggQAEAAAAkACoAQIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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