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CAS No.: | 95154-01-1 |
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Name: | 2-(1,3-BENZOTHIAZOL-2-YLTHIO)SUCCINIC ACID |
Molecular Structure: | |
Formula: | C11H9NO4S2 |
Molecular Weight: | 283.329 |
Synonyms: | Butanedioicacid, (2-benzothiazolylthio)- (9CI);(2-Benzothiazolylthio)succinic acid;Irgacor 252;Irgacor 252LD;Reocor 152;2-(1,3-Benzothiazol-2-ylthio)succinic acid; |
EINECS: | 401-450-4 |
Density: | 1.6 g/cm3 |
Boiling Point: | 456.6 °C at 760 mmHg |
Flash Point: | 229.9 °C |
Solubility: | 180g/L at 20℃ |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 24-37 |
PSA: | 141.03000 |
LogP: | 2.31630 |
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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