DL-Dithiothreitol-d₁₀ - ≥98 atom% D,≥98% , CAS No.302912-05-6

CAS: 302912-05-6 Cat. No.: D472133 Formula: DSCD₂CD(OD)CD(OD)CD₂SD Molecular Weight: 164.31 EC Number: 685-848-5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

DL-Dithiothreitol-d10|( inverted exclamation markA)-1,4-DITHIOTHREITOL-D10|1,4-Bis[(~2~H)sulfanyl](~2~H_6_)butane-2,3-(~2~H_2_)diol|1,1,2,3,4,4-hexadeuterio-2,3-dideuteriooxy-1,4-bis(deuteriosulfanyl)butane|DL-1,4-Dithiothreitol-d10, (+/-)-1,4-Dithiothreitol-d10|2,3-Butane-1,1,2,3,4,4-d6-diol-d2, 1,4-di(mercapto-d)- (9CI)|Cleland's reagent-d10

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DL-Dithiothreitol-d10 | ( inverted exclamation markA)-1,4-DITHIOTHREITOL-D10 | 1,4-Bis[(~2~H)sulfanyl](~2~H_6_)butane-2,3-(~2~H_2_)diol | 1,1,2,3,4,4-hexadeuterio-2,3-dideuteriooxy-1,4-bis(deuteriosulfanyl)butane | DL-1,4-Dithiothreitol-d10, (+/-)-1,4-Dithiothreitol-d10 | 2,3-Butane-1,1,2,3,4,4-d6-diol-d2, 1,4-di(mercapto-d)- (9CI) | Clel Show more

Specifications & Purity

≥98 atom% D,≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98 atom% D,≥98%

Names and Identifiers

Canonical Smiles

C(C(C(CS)O)O)S

IUPAC Name

1,1,2,3,4,4-hexadeuterio-2,3-dideuteriooxy-1,4-bis(deuteriosulfanyl)butane

InChIKey

VHJLVAABSRFDPM-BSSDICLPSA-N

INCHI

1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/i1D2,2D2,3D,4D,5D,6D/hD2

Isomeric SMILES

[2H]C([2H])(C([2H])(C([2H])(C([2H])([2H])S[2H])O[2H])O[2H])S[2H]

Molecular Weight

164.31

Reaxy-Rn

9483598

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9483598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 42-44℃ (lit.)
• Molecular Weight: 164.300 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 164.075 Da
• Monoisotopic Mass: 164.075 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 52.000
• Isotope Atom Count: 10
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1