2-methyl-1H-imidazole-4-carbothioamide

Base Information

• Chemical Name: 2-methyl-1H-imidazole-4-carbothioamide
• CAS No.: 129486-91-5
• Molecular Formula: C5H7N3S
• Molecular Weight: 141.19
• Hs Code.: 2933299090
• DSSTox Substance ID: DTXSID50383850
• Nikkaji Number: J3.318.835H
• Wikidata: Q82175648
• ChEMBL ID: CHEMBL3110248
• Mol file: 129486-91-5.mol

Synonyms:2-methyl-1H-imidazole-4-carbothioamide;129486-91-5;2-methyl-1H-imidazole-5-carbothioamide;CHEMBL3110248;SCHEMBL441004;DTXSID50383850;MNYPQSNAWPZXRV-UHFFFAOYSA-N;BDBM50495378;MFCD03659724;AKOS006230020;CS-0329078;FT-0612902;2-methyl-1H-imidazole-4-carbothioamide, AldrichCPR

Chemical Property of 2-methyl-1H-imidazole-4-carbothioamide

Chemical Property:

• Vapor Pressure: 2.03E-07mmHg at 25°C
• Melting Point: 194 °C
• Refractive Index: 1.692
• Boiling Point: 424.7 °C at 760 mmHg
• PKA: 12.14±0.10(Predicted)
• Flash Point: 210.6 °C
• PSA: 86.79000
• Density: 1.359 g/cm³
• LogP: 1.05260
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.03606841
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-1H-imidazole-4-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1)C(=S)N