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Home >> Chemical Listing >> Page 3152 >> 4-(Methylsulfanyl)-L-isovaline

4-(Methylsulfanyl)-L-isovaline
[CAS# 98302-79-5]

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Identification
Name 4-(Methylsulfanyl)-L-isovaline
Synonyms (2S)-2-amino-2-methyl-4-(methylsulfanyl)butanoic acid; (S)-2-amino-2-methyl-4-(methylthio)butanoic acid; 2-Amino-2-methyl-4-methylsulfanyl-butyric acid
Molecular Structure CAS#: 98302-79-5, 4-(Methylsulfanyl)-L-isovaline
Molecular Formula C6H13NO2S
Molecular Weight 163.24
CAS Registry Number 98302-79-5
SMILES C[C@](CCSC)(C(=O)O)N
InChI 1S/C6H13NO2S/c1-6(7,5(8)9)3-4-10-2/h3-4,7H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKey ZYVMPHJZWXIFDQ-LURJTMIESA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 301.9±37.0°C at 760 mmHg (Cal.)
Flash point 136.4±26.5°C (Cal.)
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