Sulforhodamine B acid chloride [Rhodamine B sulfonyl chloride], [known as Lissamine™ Rhodamine B Sulfonyl Chloride, TM of PerkinElmer] - for fluorescence analysis , CAS No.62796-29-6

CAS: 62796-29-6 Cat. No.: S131272 Molecular Weight: 577.112 Beilstein Registry Number: 7734927 EC Number: 263-735-8 PubChem CID: 65223

GRADE & PURITY for Fluorescence analysis

Synonyms

HY-D0966 | Xanthylium, 9-(4-(chlorosulfonyl)-2-sulfophenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt | SCHEMBL838400 | 5-(chlorosulfonyl)-2-(6-(diethylamino)-3-(diethyliminio)-3h-xanthen-9-yl)benzenesulfonate | 2-(3,6-bis(diethylamino)xanthylium-9-yl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Amine-Reactive fluorescent probe for proteins and peptides labeling

Specifications

Synonyms

HY-D0966 | Xanthylium, 9-(4-(chlorosulfonyl)-2-sulfophenyl)-3, 6-bis(diethylamino)-, hydroxide, inner salt | SCHEMBL838400 | 5-(chlorosulfonyl)-2-(6-(diethylamino)-3-(diethyliminio)-3h-xanthen-9-yl)benzenesulfonate | 2-(3, 6-bis(diethylamino)xanthylium-9-yl

Specifications & Purity

for fluorescence analysis

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

for Fluorescence analysis

Names and Identifiers

• Canonical Smiles: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)Cl)S(=O)(=O)[O-]
• IUPAC Name: 5-chlorosulfonyl-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate
• InChIKey: YERWMQJEYUIJBO-UHFFFAOYSA-N
• INCHI: 1S/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3
• Isomeric SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)Cl)S(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 65223
• Molecular Weight: 577.112
• Beilstein: 7734927

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Benzenesulfonyl chlorides Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Dialkylarylamines Sulfonyls Sulfonyl chlorides Secondary ketimines Organosulfonic acids Heteroaromatic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Benzenesulfonyl chloride - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Secondary ketimine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Heteroaromatic compound - Tertiary amine - Oxacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 577.100 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 576.116 Da
• Monoisotopic Mass: 576.116 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1