Tetrabutylthiuram Disulfide - ≥98%(N) , CAS No.1634-02-2

CAS: 1634-02-2 Cat. No.: T161812 Molecular Weight: 408.74 EC Number: 216-652-6 PubChem CID: 15412

GRADE & PURITY ≥98%(N)

Synonyms

DTXSID6049226 | E78822 | Bis(dibutylthiocarbamoyl) disulfide | Bis-(dibutylthiocarbamoyl) disulfide | BRN 1715575 | PGAXJQVAHDTGBB-UHFFFAOYSA-N | J-010042 | Zinc ionophore I | BDBM50570514 | THIOPEROXYDICARBONIC DIAMIDE (((H2N)C(S))2S2), N,N,N',N'- TETRAB

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID6049226 | E78822 | Bis(dibutylthiocarbamoyl) disulfide | Bis-(dibutylthiocarbamoyl) disulfide | BRN 1715575 | PGAXJQVAHDTGBB-UHFFFAOYSA-N | J-010042 | Zinc ionophore I | BDBM50570514 | THIOPEROXYDICARBONIC DIAMIDE (((H2N)C(S))2S2), N, N, N', N'- TETRAB

Specifications & Purity

≥98%(N)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(N)

Names and Identifiers

• Pubchem Sid: 488182119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182119
• Canonical Smiles: CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC
• IUPAC Name: dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate
• InChIKey: PGAXJQVAHDTGBB-UHFFFAOYSA-N
• INCHI: 1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
• Isomeric SMILES: CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC
• RTECS: JO0800000
• PubChem CID: 15412
• Molecular Weight: 408.74
• Reaxy-Rn: 1715575

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Thiuram disulfides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Thiuram disulfides
• Alternative Parents: Organic disulfides Sulfenyl compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiuram disulfide - Organic disulfide - Sulfenyl compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiuram disulfides. These are organic disulfides that have the general structural formula RN(R')C(=S)SSC(=S)N(R\")R\"', where R-R\"'=alkyl groups.
• 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

Associated Targets(Human)

ALDH2 Tclin Aldehyde dehydrogenase (509 Activities)

Discover Target: ALDH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.58
• Melt Point(°C): 33℃
• Molecular Weight: 408.800 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 408.176 Da
• Monoisotopic Mass: 408.176 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 289.000
• 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

References

1. Yanli Zhu, Jikai Wang, Haitao Xie, Hailing Liu, Shuangquan Liu, Dongxiu He, Pengbing Mi, Suisui He, Jun Wang, Yiyang Sun.  (2022)  NIR-to-Vis Handheld Platforms for Detecting miRNA Level and Mutation Based on Sub-10 nm Sulfide Nanodots and HCR Amplification.  ACS Applied Materials & Interfaces,      [PMID:35188756] [10.1021/acsami.2c00689]

2. Ting Lü, Shuang Zhang, Dongming Qi, Dong Zhang, Hongting Zhao.  (2016)  Thermosensitive poly(N-isopropylacrylamide)-grafted magnetic nanoparticles for efficient treatment of emulsified oily wastewater.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2016.07.262]