2,5-Dithiobiurea - ≥99% , CAS No.142-46-1

CAS: 142-46-1 Cat. No.: D106544 Molecular Weight: 150.23 EC Number: 205-537-6

GRADE & PURITY ≥99%

Synonyms

2,5-DITHIOBIUREA | Dithiocarbamoylhydrazine | (N H2 C S N H)2 | Bis(thiourea) | Dithiobiurea (VAN) | MFCD00014471 | KCOYHFNCTWXETP-UHFFFAOYSA-N | UNII-825972ISQX | A807910 | NCGC00331503-01 | Q27269309 | USAF ek-p-6281 | Bithiourea (VAN) | NSC 3511 | USAF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 5-DITHIOBIUREA | Dithiocarbamoylhydrazine | (N H2 C S N H)2 | Bis(thiourea) | Dithiobiurea (VAN) | MFCD00014471 | KCOYHFNCTWXETP-UHFFFAOYSA-N | UNII-825972ISQX | A807910 | NCGC00331503-01 | Q27269309 | USAF ek-p-6281 | Bithiourea (VAN) | NSC 3511 | USAF

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488192283
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192283
• Canonical Smiles: C(=S)(N)NNC(=S)N
• IUPAC Name: (carbamothioylamino)thiourea
• InChIKey: KCOYHFNCTWXETP-UHFFFAOYSA-N
• INCHI: 1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
• Isomeric SMILES: C(=S)(N)NNC(=S)N
• WGK Germany: 3
• RTECS: EC1460000
• Molecular Weight: 150.23
• Reaxy-Rn: 1723178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiosemicarbazides
• Alternative Parents: Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiosemicarbazide - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiosemicarbazides. These are compounds containing a derivative of thiosemicarbazide with the general structure R1N(R2)N(R3)C(=S)N(R4)R5 (R1-R5=H, alkyl, aryl) where the ketone group has carbonyl group has been replaced with a thiocarbonyl group.
• 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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in hot water, pyridine, triethylamine and dimethylformamide. Insoluble in cold water
• Melt Point(°C): 212°C
• Molecular Weight: 150.230 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.003 Da
• Monoisotopic Mass: 150.003 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.600
• 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. Wang Qi, Yan Huiyu, Yao Linyan, Guo Ying, Xiao Jianxi.  (2024)  A robust acid-resistant chelating polymer for enhanced stabilization of lead ions in fly ash.  BMC Chemistry,  18  (1): (1-9).  [PMID:38783370] [10.1186/s13065-024-01209-z]

2. Jiaxin Luo, Yihui Wu, Dawei Xiang, Shixing Wang, Jianqiang Ye, Hongliang Liu, Libo Zhang.  (2025)  Dithiourea-bridged cross-linked COF-COF for efficient and selective gallium recovery.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.136690]