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2-Methyl-5-(2-Methyl-2-Propanyl)-1-[2-(Methylsulfanyl)Ethyl]-1H-Pyrrole-3-Carboxylic Acid
[CAS# 306936-21-0]

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Identification
Name 2-Methyl-5-(2-Methyl-2-Propanyl)-1-[2-(Methylsulfanyl)Ethyl]-1H-Pyrrole-3-Carboxylic Acid
Synonyms 1H-PYRROLE-3-CARBOXYLICACID, 5-(1,1-DIMETHYLETHYL)-2-METHYL-1-[2-(METHYLTHIO)ETHYL]-; 5-(tert-butyl)-2-methyl-1-[2-(methylthio)ethyl]-1H-pyrrole-3-carboxylicacid
Molecular Structure CAS#: 306936-21-0, 2-Methyl-5-(2-Methyl-2-Propanyl)-1-[2-(Methylsulfanyl)Ethyl]-1H-Pyrrole-3-Carboxylic Acid
Molecular Formula C13H21NO2S
Molecular Weight 255.38
CAS Registry Number 306936-21-0
SMILES CC1=C(C=C(N1CCSC)C(C)(C)C)C(=O)O
InChI 1S/C13H21NO2S/c1-9-10(12(15)16)8-11(13(2,3)4)14(9)6-7-17-5/h8H,6-7H2,1-5H3,(H,15,16)
InChIKey AUUYXQMZFYTWIL-UHFFFAOYSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
Melting point 207-210°C (Expl.)
Boiling point 395.9±42.0°C at 760 mmHg (Cal.)
Flash point 193.2±27.9°C (Cal.)
Refractive index 1.535 (Cal.)
Safety Data
Safety Description Irritant
Market Analysis Reports
List of Reports Available for 2-Methyl-5-(2-Methyl-2-Propanyl)-1-[2-(Methylsulfanyl)Ethyl]-1H-Pyrrole-3-Carboxylic Acid
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