2-Oxazolidinethione,4-(phenylmethyl)-, (4S)- supplier

Name
(S)-4-BENZYL-1,3-OXAZOLIDINE-2-THIONE
EINECS
CAS No. 145588-94-9
Article Data16
CAS DataBase
Density 1.231 g/cm³
Solubility
Melting Point 63-67 °C
Formula C₁₀H₁₁NOS
Boiling Point 281.166 °C at 760 mmHg
Molecular Weight 193.269
Flash Point 123.845 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms (S)-4-Benzyloxazolidine-2-thione;
PSA 53.35000
LogP 1.83120

2-Oxazolidinethione,4-(phenylmethyl)-, (4S)- Specification

The 2-Oxazolidinethione,4-(phenylmethyl)-, (4S)-, with the CAS registry number of 145588-94-9, is also known as (S)-4-Benzyloxazolidine-2-thione. Its molecular formula is C₁₀H₁₁NOS and molecular weight is 193.27. What's more, its systematic name is (4S)-4-Benzyl-1,3-oxazolidine-2-thione.

Physical properties about the 2-Oxazolidinethione,4-(phenylmethyl)-, (4S)- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 209; (8)ACD/KOC (pH 7.4): 209; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.35 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 55.713 cm³; (15)Molar Volume: 157.009 cm³; (16)Surface Tension: 55.012 dyne/cm; (17)Density: 1.231 g/cm³; (18)Flash Point: 123.845 °C; (19)Enthalpy of Vaporization: 51.995 kJ/mol; (20)Boiling Point: 281.166 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C2N[C@@H](Cc1ccccc1)CO2
(2) InChI: InChI=1/C10H11NOS/c13-10-11-9(7-12-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,13)/t9-/m0/s1
(3) InChIKey: WJSUXYCBZFLXIK-VIFPVBQEBQ

Product Name

(S)-4-BENZYL-1,3-OXAZOLIDINE-2-THIONE

2-Oxazolidinethione,4-(phenylmethyl)-, (4S)- Specification

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