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Cas Database |
| Name |
Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate |
EINECS | N/A |
| CAS No. | 159878-02-1 | Density | 1.292 g/cm3 |
| PSA | 83.86000 | LogP | 4.06430 |
| Solubility | N/A | Melting Point |
114-116 °C |
| Formula | C18H20ClNO3S | Boiling Point | 559.88 °C at 760 mmHg |
| Molecular Weight | 365.881 | Flash Point | 292.405 °C |
| Transport Information | N/A | Appearance | White solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, [(1R,2S)-3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-, phenylmethylester (9CI);Carbamic acid, [3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-,phenylmethyl ester, [S-(R*,S*)]-;(2S,3R)-(-)-3-(Benzyloxycarbonylamino)-1-chloro-4-phenylthiobutan-2-ol;(2S,3R)-1-Chloro-2-hydroxy-3-[(benzyloxycarbonyl)amino]-4-(phenylthio)butane;(2S,3R)-3-(N-Benzyloxycarbonyl)amino-1-chloro-4-phenylthiobutan-2-ol; |
Article Data | 4 |
Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate Specification
The Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate with its cas register number is 159878-02-1. It also can be called as (2S,3R)-1-Chloro-3-[(phenylmethoxy)carbonyl]amino-4-(phenylthio)butan-2-ol and the Systematic name about this chemical is benzyl {(1R,2S)-3-chloro-2-hydroxy-1-[(phenylsulfanyl)methyl]propyl}carbamate. It belongs to the following product categories, such as API intermediates, Chiral Reagents, Miscellaneous Reagents, Sulfur & Selenium Compounds and so on.
Physical properties about Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate are: (1)ACD/LogP: 4.16; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 83.86Å2; (6)Index of Refraction: 1.617; (7)Molar Refractivity: 99.095 cm3; (8)Molar Volume: 283.209 cm3; (9)Polarizability: 39.284x10-24cm3; (10)Surface Tension: 56.342 dyne/cm; (11)Enthalpy of Vaporization: 88.626 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)CSc2ccccc2
(2)InChI: InChI=1/C18H20ClNO3S/c19-11-17(21)16(13-24-15-9-5-2-6-10-15)20-18(22)23-12-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)/t16-,17+/m0/s1
(3)InChIKey: YMCLVAZUQJPLTE-DLBZAZTEBT
(4)Std. InChI: InChI=1S/C18H20ClNO3S/c19-11-17(21)16(13-24-15-9-5-2-6-10-15)20-18(22)23-12-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)/t16-,17+/m0/s1
(5)Std. InChIKey: YMCLVAZUQJPLTE-DLBZAZTESA-N
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