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2-Thiazolidinethione,4-phenyl-, (4S)-

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Name

2-Thiazolidinethione,4-phenyl-, (4S)-

EINECS N/A
CAS No. 185137-29-5 Density 1.31 g/cm3
PSA 69.42000 LogP 2.67780
Solubility N/A Melting Point 127.0 to 131.0 °C
Formula C9H9NS2 Boiling Point 322.2 °C at 760 mmHg
Molecular Weight 195.309 Flash Point 148.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 185137-29-5 ((S)-4-PHENYL-1,3-THIAZOLIDINE-2-THIONE) Hazard Symbols IrritantXi
Synonyms

2-Thiazolidinethione,4-phenyl-, (S)-;(S)-4-Phenylthiazolidine-2-thione;

Article Data 13

2-Thiazolidinethione,4-phenyl-, (4S)- Specification

The 2-Thiazolidinethione,4-phenyl-, (4S)- is an organic compound with the formula C9H9NS2. The systematic name of this chemical is (4S)-4-Phenyl-1,3-thiazolidine-2-thione. With the CAS registry number 185137-29-5, it is also named as (S)-4-Phenyl-1,3-thiazolidine-2-thione. Besides, its molecular weight is 195.3.

The physical properties of 2-Thiazolidinethione,4-phenyl-, (4S)- are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 2.54; (4)ACD/BCF (pH 5.5): 50.35; (5)ACD/BCF (pH 7.4): 50.35; (6)ACD/KOC (pH 5.5): 575.33; (7)ACD/KOC (pH 7.4): 575.33; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 60.63 Å2; (12)Index of Refraction: 1.7; (13)Molar Refractivity: 57.35 cm3; (14)Molar Volume: 148.3 cm3; (15)Polarizability: 22.73×10-24 cm3; (16)Surface Tension: 64 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 148.7 °C; (19)Enthalpy of Vaporization: 56.4 kJ/mol; (20)Boiling Point: 322.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000284 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2SC[C@H](c1ccccc1)N2
(2)InChI: InChI=1/C9H9NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
(3)InChIKey: IEXSISKCCADMLK-MRVPVSSYBB
(4)Std. InChI: InChI=1S/C9H9NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
(5)Std. InChIKey: IEXSISKCCADMLK-MRVPVSSYSA-N

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