(Cyclopropylmethyl)thiourea - ≥97% , CAS No.618913-44-3

CAS: 618913-44-3 Cat. No.: C1362533 Summenformel: C₅H₁₀N₂S Molekulargewicht: 130.21 EG-Nummer: 863-364-7 PubChem CID: 2795339

QUALITÄT & REINHEIT ≥97%

Storage

Room temperature

Spezifikationen

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1CC1CNC(=S)N

IUPAC Name

cyclopropylmethylthiourea

InChIKey

BHJTYNJTDMRWOT-UHFFFAOYSA-N

INCHI

1S/C5H10N2S/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)

Isomere SMILES

C1CC1CNC(=S)N

PubChem CID

2795339

Molekulargewicht

130.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioureas
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 130.210 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.056 Da
• Monoisotopic Mass: 130.056 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.600
• 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

Häufig gestellte Fragen

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

The CAS Number is 618913-44-3, the molecular formula is C5H10N2S, and the molecular weight is 130.21 g/mol. InChIKey BHJTYNJTDMRWOT-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.