Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Furancarbothioicacid, anhydrosulfide with O-ethyl hydrogen carbonodithioate
861095-37-6 structure

2-Furancarbothioicacid, anhydrosulfide with O-ethyl hydrogen carbonodithioate

Iupac Name:morpholin-4-yl-(3-nitrophenyl)diazene
CAS No.:861095-37-6
Molecular Weight:236.231
Molecular Formula:C12H14CAN2O3 (isomer)
Names and Identifiers
Synonyms

[(ethoxymethanethioyl)sulfanyl](furan-2-yl)methanone 2-furancarbothioic acid, anhydrosulfide with o-ethyl hydrogen carbonodithioate AC1MI8JY carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, o-ethyl ester DTXSID90147317 HE292790 LS-51996 o-ethyl furan-2-carbonylsulfanylmethanethioate

Inchi
InChI=1S/C10H12N4O3/c15-14(16)10-3-1-2-9(8-10)11-12-13-4-6-17-7-5-13/h1-3,8H,4-7H2
InChkey
RBHSPYCALQCWNC-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1N=NC2=CC(=CC=C2)[N+](=O)[O-]
Properties
Density
g/cm3
Boiling Point
494.9°Cat760mmHg
Flash Point
44.6°C
HS Code
2934999090
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:236.231g/mol
  • Molecular Formula:C12H14CAN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:236.091
  • Monoisotopic Mass:236.091
  • Complexity:286
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:83A^2
  • Heavy Atom Count:17
  • 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: AAADccBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAMAAAACAjhkAYwwIIQRACD ACRCQwCCAAAgAgA4iAAIZIoKICKA0dGDIABggACYyAcQAAAAAAAAAAQAAAAAAAAACAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+46 705927309
  • Fax:+46 866 09805
Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+46 705927309
  • Fax:+46 866 09805
 
<