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

Base Information

• Chemical Name: 1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-
• CAS No.: 153686-91-0
• Molecular Formula: C11H19 N S
• Molecular Weight: 197.34
• DSSTox Substance ID: DTXSID70165397
• Nikkaji Number: J564.536K
• Mol file: 153686-91-0.mol

Synonyms:153686-91-0;1H-Pyrrole-1-ethanethiol, 2-methyl-5-(2-methylpropyl)-;2-Isobutyl 5-methyl N-ethanethiol pyrrole;2-Methyl-5-(2-methylpropyl)-1H-pyrrole-1-ethanethiol;2-[2-methyl-5-(2-methylpropyl)pyrrol-1-yl]ethanethiol;DTXSID70165397;PRIUUJWQSGAHNU-UHFFFAOYSA-N;LS-136960;2-Methyl-5-isobutyl-1H-pyrrole-1-(ethanethiol)

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

Chemical Property:

• Vapor Pressure: 0.0038mmHg at 25°C
• Boiling Point: 289.5°Cat760mmHg
• Flash Point: 128.9°C
• PSA: 43.73000
• Density: 0.99g/cm³
• LogP: 2.92480
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 197.12382078
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1CCS)CC(C)C

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