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S-[N-Benzyl(Thiocarbamoyl)]-L-Cysteine
[CAS# 35446-36-7]

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Identification
Name S-[N-Benzyl(Thiocarbamoyl)]-L-Cysteine
Synonyms (2R)-2-Amino-3-[[(Phenylmethylamino)-Thioxomethyl]Thio]Propanoic Acid; (2R)-2-Amino-3-(Benzylthiocarbamoylthio)Propionic Acid; Benzylisothiocyanate Cysteine Conjugate
Molecular Structure CAS#: 35446-36-7, S-[N-Benzyl(Thiocarbamoyl)]-L-Cysteine
Molecular Formula C11H14N2O2S2
Molecular Weight 270.36
CAS Registry Number 35446-36-7
SMILES [C@@H](CSC(=S)NCC1=CC=CC=C1)(N)C(=O)O
InChI 1S/C11H14N2O2S2/c12-9(10(14)15)7-17-11(16)13-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey RSTSYGXUDMJEFP-VIFPVBQESA-N
Properties
Density 1.364g/cm3 (Cal.)
Boiling point 459.779°C at 760 mmHg (Cal.)
Flash point 231.867°C (Cal.)
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