N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine supplier

Name
N-ACETYL-S-[N-(2-PHENYLETHYL)THIOCARBAMOYL]-L-CYSTEINE
EINECS
CAS No. 131918-97-3
Article Data3
CAS DataBase
Density 1.306 g/cm³
Solubility
Melting Point 55-58°C
Formula C₁₄H₁₈N₂O₃S₂
Boiling Point
Molecular Weight 326.441
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Cysteine,N-acetyl-, (2-phenylethyl)carbamodithioate (ester) (9CI);Phenethyl isothiocyanate N-acetyl-L-cysteine conjugate;
PSA 135.82000
LogP 2.20790

N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine Specification

The CAS registry number of L-Cysteine,N-acetyl-S-[[(2-phenylethyl)amino]thioxomethyl]- is 131918-97-3. The systematic name is N-acetyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteine. In addition, the molecular formula is C₁₄H₁₈N₂O₃S₂ and the molecular weight is 326.43. It is a kind of off-white solid and belongs to the classes of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Aromatics; Inhibitors; Sulfur & Selenium . And it should be stored in a cool and dry place.

Physical properties about L-Cysteine,N-acetyl-S-[[(2-phenylethyl)amino]thioxomethyl]- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 135.82 Å²; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 87.628 cm³; (9)Molar Volume: 250.003 cm³; (10)Polarizability: 34.739 ×10^-24cm³; (11)Surface Tension: 61.442 dyne/cm; (12)Density: 1.306 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)C)CSC(=S)NCCc1ccccc1
(2)InChI: InChI=1/C14H18N2O3S2/c1-10(17)16-12(13(18)19)9-21-14(20)15-8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)/t12-/m0/s1
(3)InChIKey: BPWJNEDSCLPNGK-LBPRGKRZBK

Product Name

N-ACETYL-S-[N-(2-PHENYLETHYL)THIOCARBAMOYL]-L-CYSTEINE

N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine Specification

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