2-Amino-4-methylthiophene-3-carbonitrile - ≥98% , CAS No.4623-55-6

CAS: 4623-55-6 Cat. No.: A184640 Molecular Weight: 138.2 EC Number: 826-858-3

GRADE & PURITY ≥98%

Synonyms

VVLPOLLOKMOHOP-UHFFFAOYSA-N | AA-516/30012034 | STL352281 | 2-Amino-4-methyl-thiophene-3-carbonitrile | 2-amino-4-methylthiophene-3-carbonitrile | 2-Amino-3-cyano-4-methylthiophene | Z240126244 | EN300-209371 | AM803934 | 3-Thiophenecarbonitrile, 2-amino-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

VVLPOLLOKMOHOP-UHFFFAOYSA-N | AA-516/30012034 | STL352281 | 2-Amino-4-methyl-thiophene-3-carbonitrile | 2-amino-4-methylthiophene-3-carbonitrile | 2-Amino-3-cyano-4-methylthiophene | Z240126244 | EN300-209371 | AM803934 | 3-Thiophenecarbonitrile, 2-amino-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758214
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758214
• Canonical Smiles: CC1=CSC(=C1C#N)N
• IUPAC Name: 2-amino-4-methylthiophene-3-carbonitrile
• InChIKey: VVLPOLLOKMOHOP-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2S/c1-4-3-9-6(8)5(4)2-7/h3H,8H2,1H3
• Isomeric SMILES: CC1=CSC(=C1C#N)N
• Molecular Weight: 138.2
• Reaxy-Rn: 1099818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099818&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Aminothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Aminothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-aminothiophenes
• Alternative Parents: Heteroaromatic compounds Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-aminothiophene - Heteroaromatic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-aminothiophenes. These are organic compounds containing an amino group conjugated to a thiophene ring at the 2-position.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 138.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.025 Da
• Monoisotopic Mass: 138.025 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 148.000
• 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