2-Thiophenecarboxylicacid, 3-amino-4-(phenylsulfonyl)- supplier

Name
3-AMINO-4-(PHENYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 175201-59-9
Density 1.555g/cm³
Solubility
Melting Point 174 °C
Formula C₁₁H₉NO₄S₂
Boiling Point 590.4 °C at 760 mmHg
Molecular Weight 283.32
Flash Point 310.9 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms BUTTPARK 92\04-07;3-AMINO-4-(PHENYLSULFONYL)-2-THIOPHENECARBOXYLIC ACID;3-AMINO-4-(PHENYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID;3-AMINO-4-(PHENYLSULPHONYL)THIOPHENE-2-CARBOXYLIC ACID;3-AMINO-4-(BENZENESULFONYL)THIOPHENE-2-CARBOXYLIC ACID
PSA 134.08000
LogP 3.52330

2-Thiophenecarboxylicacid, 3-amino-4-(phenylsulfonyl)- Specification

The 2-Thiophenecarboxylicacid, 3-amino-4-(phenylsulfonyl)-, with CAS registry number 175201-59-9, has the systematic name of 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylic acid. When use this chemical, do not breathe dust and avoid contact with skin and eyes. And the chemical formula of this chemical is C₁₁H₉NO₄S₂.

Physical properties of 2-Thiophenecarboxylicacid, 3-amino-4-(phenylsulfonyl)-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.71; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 100.3 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 68.31 cm³; (15)Molar Volume: 182 cm³; (16)Polarizability: 27.08×10^-24cm³; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 1.555 g/cm³; (19)Flash Point: 310.9 °C; (20)Enthalpy of Vaporization: 92.64 kJ/mol; (21)Boiling Point: 590.4 °C at 760 mmHg; (22)Vapour Pressure: 8.77E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1c(N)c(sc1)C(=O)O)c2ccccc2
(2)InChI: InChI=1/C11H9NO4S2/c12-9-8(6-17-10(9)11(13)14)18(15,16)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)
(3)InChIKey: YXMYJEUQTGKJPV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H9NO4S2/c12-9-8(6-17-10(9)11(13)14)18(15,16)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)
(5)Std. InChIKey: YXMYJEUQTGKJPV-UHFFFAOYSA-N

Product Name

3-AMINO-4-(PHENYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID

2-Thiophenecarboxylicacid, 3-amino-4-(phenylsulfonyl)- Specification

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