1H-Pyrrole-1-ethanethiol, 2-(1-ethylpropyl)-5-methyl-

Base Information

• Chemical Name: 1H-Pyrrole-1-ethanethiol, 2-(1-ethylpropyl)-5-methyl-
• CAS No.: 153686-90-9
• Molecular Formula: C12H21 N S
• Molecular Weight: 211.37
• DSSTox Substance ID: DTXSID10165396
• Nikkaji Number: J564.535B
• Wikidata: Q83034548
• Mol file: 153686-90-9.mol

Synonyms:153686-90-9;1H-Pyrrole-1-ethanethiol, 2-(1-ethylpropyl)-5-methyl-;2-(1-Ethylpropyl) 5-methyl N-ethanethiol pyrrole;2-(2-methyl-5-pentan-3-ylpyrrol-1-yl)ethanethiol;2-(1-Ethylpropyl)-5-methyl-1H-pyrrole-1-ethanethiol;DTXSID10165396;LS-136958;2-Methyl-5-(1-ethylpropyl)-1H-pyrrole-1-(ethanethiol)

Chemical Property of 1H-Pyrrole-1-ethanethiol, 2-(1-ethylpropyl)-5-methyl-

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Boiling Point: 300.9°C at 760 mmHg
• PKA: 9.10±0.10(Predicted)
• Flash Point: 135.8°C
• PSA: 43.73000
• Density: 0.98g/cm³
• LogP: 3.62990
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 211.13947085
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C1=CC=C(N1CCS)C

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