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2-(1,3-Benzothiazol-2-Ylthio)Succinic Acid

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Name

2-(1,3-Benzothiazol-2-Ylthio)Succinic Acid

EINECS 401-450-4
CAS No. 95154-01-1 Density 1.6 g/cm3
PSA 141.03000 LogP 2.31630
Solubility 180g/L at 20℃ Melting Point N/A
Formula C11H9NO4S2 Boiling Point 456.6 °C at 760 mmHg
Molecular Weight 283.329 Flash Point 229.9 °C
Transport Information N/A Appearance N/A
Safety 24-37 Risk Codes 43
Molecular Structure Molecular Structure of 95154-01-1 (2-(1,3-BENZOTHIAZOL-2-YLTHIO)SUCCINIC ACID) Hazard Symbols IrritantXi
Synonyms

Butanedioicacid, (2-benzothiazolylthio)- (9CI);(2-Benzothiazolylthio)succinic acid;Irgacor 252;Irgacor 252LD;Reocor 152;2-(1,3-Benzothiazol-2-ylthio)succinic acid;

 

2-(1,3-Benzothiazol-2-Ylthio)Succinic Acid Specification

The 2-(1,3-Benzothiazol-2-Ylthio)Succinic Acid is an organic compound with the formula C11H9NO4S2. The IUPAC name of this chemical is (2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid. With the CAS registry number 95154-01-1, it is also named as Butanedioic acid, (2-benzothiazolylthio)-. The product's category is Organic acids.

Physical properties about 2-(1,3-Benzothiazol-2-Ylthio)Succinic Acid are: (1)ACD/LogP: 3.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 119.03 Å2; (10)Index of Refraction: 1.725; (11)Molar Refractivity: 70.06 cm3; (12)Molar Volume: 176.4 cm3; (13)Polarizability: 27.77×10-24cm3; (14)Surface Tension: 90.3 dyne/cm; (15)Density: 1.6 g/cm3; (16)Flash Point: 229.9 °C; (17)Enthalpy of Vaporization: 75.51 kJ/mol; (18)Boiling Point: 456.6 °C at 760 mmHg; (19)Vapour Pressure: 3.95E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by skin contact. When you are using it, wear suitable gloves and avoid contact with skin.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(Sc1nc2ccccc2s1)C(=O)O
(2)InChI: InChI=1/C11H9NO4S2/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h1-4,8H,5H2,(H,13,14)(H,15,16)
(3)InChIKey: KRDSXENYLDIORL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H9NO4S2/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h1-4,8H,5H2,(H,13,14)(H,15,16)
(5)Std. InChIKey: KRDSXENYLDIORL-UHFFFAOYSA-N

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