Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate supplier

Name
Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate
EINECS
CAS No. 159878-02-1
Article Data4
CAS DataBase
Density 1.292 g/cm³
Solubility
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
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 83.86000
LogP 4.06430

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

Product Name

Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate

Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate Specification

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