Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed Z   > ZINC20471752
175201-59-9 structure

ZINC20471752

Iupac Name:3-amino-4-(benzenesulfonyl)thiophene-2-carboxylic acid
CAS No.:175201-59-9
Molecular Weight:283.316
Molecular Formula:C18H18N4O3S2 (isomer)
Names and Identifiers
Synonyms

2-fluoro-5-methyl-n-(pentan-3-yl)aniline

Inchi
InChI=1S/C11H9NO4S2/c12-9-8(6-17-10(9)11(13)14)18(15,16)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)
InChkey
YXMYJEUQTGKJPV-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2N)C(=O)O
Properties
Melting Point
174 °C
Vapour
8.77E-15mmHg at 25°C
Refractive Index
1.673
Safety and Handling
Risk Statements
36
Safety Statements
22-24/25
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:283.316g/mol
  • Molecular Formula:C18H18N4O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:282.997
  • Monoisotopic Mass:282.997
  • Complexity:411
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:134A^2
  • Heavy Atom Count:18
  • 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: AAADccByOABgAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQQCAAACAiF0ACwyYBAAgqM ACTSSHDDAIAkCBAIiB0ATMgIJjqgFRCAcYQmwAEomUeIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86 25 85306029
  • Fax:+86 25 85309729
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86 25 85306029
  • Fax:+86 25 85309729
 
<