2-Thiophenecarboxylicacid, 3-amino-4-(methylsulfonyl)-, methyl ester supplier

Name
METHYL 3-AMINO-4-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLATE
EINECS
CAS No. 175201-73-7
Density 1.462 g/cm³
Solubility
Melting Point 145 °C
Formula C₇H₉NO₄S₂
Boiling Point 497.8 °C at 760 mmHg
Molecular Weight 235.285
Flash Point 254.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Thiophenecarboxylic acid, 3-amino-4-(methylsulfonyl)-, methyl ester;Methyl 3-amino-4-(methylsulfonyl)thiophene-2-carboxylate;
PSA 123.08000
LogP 2.18240

2-Thiophenecarboxylicacid, 3-amino-4-(methylsulfonyl)-, methyl ester Specification

The 2-Thiophenecarboxylicacid, 3-amino-4-(methylsulfonyl)-, methyl ester, with the CAS registry number 175201-73-7, has the systematic name of methyl 3-amino-4-(methylsulfonyl)thiophene-2-carboxylate. And the molecular formula of the chemical is C₇H₉NO₄S₂.

The characteristics of 2-Thiophenecarboxylicacid, 3-amino-4-(methylsulfonyl)-, methyl ester are as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.06; (6)ACD/BCF (pH 7.4): 17.06; (7)ACD/KOC (pH 5.5): 265.18; (8)ACD/KOC (pH 7.4): 265.18; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 100.3 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 53.06 cm³; (15)Molar Volume: 160.8 cm³; (16)Polarizability: 21.03×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.462 g/cm³; (19)Flash Point: 254.9 °C; (20)Enthalpy of Vaporization: 76.59 kJ/mol; (21)Boiling Point: 497.8 °C at 760 mmHg; (22)Vapour Pressure: 4.78E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1c(N)c(sc1)C(=O)OC)C
(2)InChI: InChI=1/C7H9NO4S2/c1-12-7(9)6-5(8)4(3-13-6)14(2,10)11/h3H,8H2,1-2H3
(3)InChIKey: ZFMCGKFMQDQBLY-UHFFFAOYAL

Product Name

METHYL 3-AMINO-4-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLATE

2-Thiophenecarboxylicacid, 3-amino-4-(methylsulfonyl)-, methyl ester Specification

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