Toluene-3,4-dithiol - ≥97% , CAS No.496-74-2

CAS: 496-74-2 Cat. No.: T113451 Formule: C₇H₈S₂ Poids moléculaire: 156.27 Beilstein Registry Number: 1635270 Numéro CE: 207-828-3

GRADE & PURITY ≥97%

Synonyms

AS-57163 | acs.jmedchem.1c00409_ST.258 | MFCD00004844 | 3,4-toluenedithiol | EINECS 207-828-3 | SCHEMBL331198 | BDBM512664 | 3,4-Dimercaptotoluene | TOLUENE-3,4-DITHIOL [MI] | UNII-U89B11P7SC | NSC5391 | NSC-5391 | FT-0709480 | NSC 5391 | USAF B-59 | Tolu

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads,FedEx DG Service

Vue d’ensemble

Usually used as a reagent for the spectrophotometric determination of Mo, Sn, W, and also Ag and Re.

Specifications

Synonymes

AS-57163 | acs.jmedchem.1c00409_ST.258 | MFCD00004844 | 3,4-toluenedithiol | EINECS 207-828-3 | SCHEMBL331198 | BDBM512664 | 3,4-Dimercaptotoluene | TOLUENE-3,4-DITHIOL [MI] | UNII-U89B11P7SC | NSC5391 | NSC-5391 | FT-0709480 | NSC 5391 | USAF B-59 | Tolu

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528773560

Sourires canoniques

CC1=CC(=C(C=C1)S)S

IUPAC Name

4-methylbenzene-1,2-dithiol

InChIKey

NIAAGQAEVGMHPM-UHFFFAOYSA-N

INCHI

1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

Isomères SMILES

CC1=CC(=C(C=C1)S)S

WGK Allemagne

3

RTECS

XT2275000

Numéro ONU

2810

Poids moléculaire

156.27

Beilstein

1635270

Reaxy-Rn

1635270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Toluenes Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Toluene - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Benzene,Chloroform
• Sensibilité: Air sensitive.
• Point de congélation (°C): 30 °C
• Point d'éclair (°F): 235.4℉
• Point d'éclair (°C): 113°C
• Point d'ébullition (°C): 185°C
• Point de fusion (°C): 27°C
• Poids moléculaire: 156.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.007 Da
• Monoisotopic Mass: 156.007 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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