(2-Methoxyethyl)thiourea - ≥98%(HPLC)(N) , CAS No.102353-42-4

CAS: 102353-42-4 Cat. No.: M158402 Molecular Weight: 134.2 EC Number: 674-156-9

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

1-(2-methoxyethyl)thiourea | J-503035 | 2-methoxyethylthiourea | methoxyethylthiourea | 2-Methoxyethyl thiourea | T71533 | Thiourea, (2-methoxyethyl)- | Thiourea,N-(2-methoxyethyl)- | N-[2-(methyloxy)ethyl]thiourea | N-(2-Methoxyethyl)thiourea | 1-(2-Meth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(2-methoxyethyl)thiourea | J-503035 | 2-methoxyethylthiourea | methoxyethylthiourea | 2-Methoxyethyl thiourea | T71533 | Thiourea, (2-methoxyethyl)- | Thiourea, N-(2-methoxyethyl)- | N-[2-(methyloxy)ethyl]thiourea | N-(2-Methoxyethyl)thiourea | 1-(2-Meth

Specifications & Purity

≥98%(HPLC)(N)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)(N)

Names and Identifiers

• Pubchem Sid: 488192012
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192012
• Canonical Smiles: COCCNC(=S)N
• IUPAC Name: 2-methoxyethylthiourea
• InChIKey: XLJXJKHWLMYXBE-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2OS/c1-7-3-2-6-4(5)8/h2-3H2,1H3,(H3,5,6,8)
• Isomeric SMILES: COCCNC(=S)N
• Molecular Weight: 134.2
• Reaxy-Rn: 8198142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8198142&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioureas
• Alternative Parents: Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiourea - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 76 °C
• Molecular Weight: 134.200 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 134.051 Da
• Monoisotopic Mass: 134.051 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.400
• 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