Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-Acetyl-S-[N-(2-phenylethyl)thiocarbamoyl]-L-cysteine |
EINECS | N/A |
CAS No. | 131918-97-3 | Density | 1.306 g/cm3 |
PSA | 135.82000 | LogP | 2.20790 |
Solubility | N/A | Melting Point |
55-58°C |
Formula | C14H18N2O3S2 | Boiling Point | N/A |
Molecular Weight | 326.441 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Cysteine,N-acetyl-, (2-phenylethyl)carbamodithioate (ester) (9CI);Phenethyl isothiocyanate N-acetyl-L-cysteine conjugate; |
Article Data | 3 |
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