N-Cyclopropylthiourea - ≥98% , CAS No.56541-14-1

CAS: 56541-14-1 Cat. No.: N185248 Molecular Weight: 116.18 EC Number: 825-613-8

GRADE & PURITY ≥98%

Synonyms

1-Cyclopropylthiourea | Thiourea, cyclopropyl- | Z85934238 | DTXSID00368935 | BS-28963 | cyclopropylthiourea | cyclopropyl-thiourea | EN300-12716 | N-cyclopropylthiourea | MFCD06655443 | SCHEMBL8299482 | HRRQVVNZENCVRA-UHFFFAOYSA-N | SCHEMBL1473973 | AKOS

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-Cyclopropylthiourea | Thiourea, cyclopropyl- | Z85934238 | DTXSID00368935 | BS-28963 | cyclopropylthiourea | cyclopropyl-thiourea | EN300-12716 | N-cyclopropylthiourea | MFCD06655443 | SCHEMBL8299482 | HRRQVVNZENCVRA-UHFFFAOYSA-N | SCHEMBL1473973 | AKOS

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC1NC(=S)N
• IUPAC Name: cyclopropylthiourea
• InChIKey: HRRQVVNZENCVRA-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2S/c5-4(7)6-3-1-2-3/h3H,1-2H2,(H3,5,6,7)
• Isomeric SMILES: C1CC1NC(=S)N
• Molecular Weight: 116.18
• Reaxy-Rn: 2429263
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2429263&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: 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
• 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

• Molecular Weight: 116.190 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 116.041 Da
• Monoisotopic Mass: 116.041 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.700
• 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