Bismuthiol I - ≥97% , CAS No.1072-71-5

CAS: 1072-71-5 Cat. No.: B100173 Molecular Weight: 150.25 Beilstein Registry Number: 113444 EC Number: 214-014-1

GRADE & PURITY ≥97%

Synonyms

[1,3,4]Thiadiazole-2,5-dithiol | UNII-2S78T9T08C | DTXSID6040115 | Usaf fa-4 | 1,3,4-Thiadiazol-dithiol-(2,5) | 2S78T9T08C | CAS-1072-71-5 | 2,5-Dimercapto-1,3,4-thiodiazole | Tox21_301157 | Usafa-8354 | 1,3,4-Thiadiazolidine-2,5-dithione | 5-sulfanyl-1,3

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

[1, 3, 4]Thiadiazole-2, 5-dithiol | UNII-2S78T9T08C | DTXSID6040115 | Usaf fa-4 | 1, 3, 4-Thiadiazol-dithiol-(2, 5) | 2S78T9T08C | CAS-1072-71-5 | 2, 5-Dimercapto-1, 3, 4-thiodiazole | Tox21_301157 | Usafa-8354 | 1, 3, 4-Thiadiazolidine-2, 5-dithione | 5-sulfanyl-1, 3

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488192166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192166
• Canonical Smiles: C1(=S)NNC(=S)S1
• IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione
• InChIKey: BIGYLAKFCGVRAN-UHFFFAOYSA-N
• INCHI: 1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)
• Isomeric SMILES: C1(=S)NNC(=S)S1
• WGK Germany: 2
• RTECS: XI3850000
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 150.25
• Beilstein: 113444
• Reaxy-Rn: 113444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiadiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiadiazoles. These are cyclic organic compounds containing a thiadiazole ring, which is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
• 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

• Solubility: Soluble in water
• Sensitivity: Light sensitive.
• Melt Point(°C): 168°C
• Molecular Weight: 150.300 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.938 Da
• Monoisotopic Mass: 149.938 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 106.000
• 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

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