Thiourea-¹³C - ≥99 atom% 13C,≥98% , CAS No.113899-66-4

CAS: 113899-66-4 Cat. No.: T345544 Formula: H₂N¹³CSNH₂ Peso molecolare: 77.11 Numero EC: 623-950-3 PubChem CID: 12201089

GRADE & PURITY ≥99 atom% ¹³C,≥98%

Synonyms

J-003039 | AKOS015898388 | Thiourea-13C, 99 atom % 13C | diamino(113C)methanethione | DTXSID80480200 | Thiourea-13C

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-003039 | AKOS015898388 | Thiourea-13C, 99 atom % 13C | diamino(113C)methanethione | DTXSID80480200 | Thiourea-13C

Specifiche e purezza

≥99 atom% 13C,≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99 atom% ¹³C,≥98%

Nomi e identificatori

• Pubchem Sid: 488197933
• Sorrisi canonici: C(=S)(N)N
• IUPAC Name: diamino(113C)methanethione
• InChIKey: UMGDCJDMYOKAJW-OUBTZVSYSA-N
• INCHI: 1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)/i1+1
• Isomeri SMILES: [13C](=S)(N)N
• PubChem CID: 12201089
• Peso molecolare: 77.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioureas
• Alternative Parents: Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiourea - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thioureas. These are organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive;light sensitive
• Punto di fusione (°C): 170-176℃
• Peso molecolare: 77.120 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 77.0129 Da
• Monoisotopic Mass: 77.0129 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 29.000
• Isotope Atom Count: 1
• 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

Domande frequenti

What is the purity of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 113899-66-4, the molecular formula is H2N13CSNH2, and the molecular weight is 77.11 g/mol. InChIKey UMGDCJDMYOKAJW-OUBTZVSYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.