CAS No.104499-08-3,(S)-(-)-4-ISOPROPYL-2-OXAZOLIDINETHIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104499-08-3
Name:	(S)-(-)-4-ISOPROPYL-2-OXAZOLIDINETHIONE
Article Data:	13

Formula:	C₆H₁₁NOS
Molecular Weight:	145.225
Synonyms:	2-Oxazolidinethione,4-(1-methylethyl)-, (S)-;(S)-(-)-4-Isopropyl-2-oxazolidinethione;(S)-4-Isopropyloxazolidine-2-thione;
Density:	1.11 g/cm³
Melting Point:	51-53 °C(lit.)
Boiling Point:	171.2 °C at 760 mmHg
Flash Point:	57.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	53.35000
LogP:	1.24450

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Specification

The 2-Oxazolidinethione,4-(1-methylethyl)-, (4S)-, with the CAS registry number 104499-08-3, is also known as (S)-(-)-4-Isopropyl-2-oxazolidinethione. It belongs to the product categories of Asymmetric Synthesis; Chiral Auxiliaries; Oxazolidinone Derivatives. This chemical's molecular formula is C₆H₁₁NOS and molecular weight is 145.22. What's more, its systematic name is (4S)-4-(1-methylethyl)-1,3-oxazolidine-2-thione. The product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. This product should be protected from moisture and strong oxidizers. It should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of 2-Oxazolidinethione,4-(1-methylethyl)-, (4S)- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.25; (6)ACD/BCF (pH 7.4): 3.25; (7)ACD/KOC (pH 5.5): 80.88; (8)ACD/KOC (pH 7.4): 80.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.56 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 40.23 cm³; (15)Molar Volume: 129.8 cm³; (16)Polarizability: 15.95×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 57.3 °C; (20)Enthalpy of Vaporization: 40.76 kJ/mol; (21)Boiling Point: 171.2 °C at 760 mmHg; (22)Vapour Pressure: 1.41 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. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1OC[C@@H](N1)C(C)C
(2)InChI: InChI=1/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)/t5-/m1/s1
(3)InChIKey: CIRDXQWBLPPFPN-RXMQYKEDBZ