NSC 74859 supplier | CasNO.501919-59-1

Name
S3I-201
EINECS
CAS No. 501919-59-1
Density 1.507 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₅NO₇S
Boiling Point 654.7 °C at 760 mmHg
Molecular Weight 365.364
Flash Point 349.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 74859;
PSA 138.38000
LogP 2.89660

NSC 74859 Specification

The CAS register number of NSC 74859 is 501919-59-1. The systematic name about this chemical is 2-hydroxy-4-[({[(4-methylphenyl)sulfonyl]oxy}acetyl)amino]benzoic acid. The molecular formula about this chemical is C₁₆H₁₅NO₇S and the molecular weight is 365.3578.

Physical properties about NSC 74859 are: (1)ACD/LogP: 3.08; (2)#H bond acceptors: 8; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 107.59 Å²; (6)Index of Refraction: 1.641; (7)Molar Refractivity: 87.47 cm³; (8)Molar Volume: 242.2 cm³; (9)Polarizability: 34.67x10^-24cm³; (10)Surface Tension: 71.6 dyne/cm; (11)Density: 1.507 g/cm³; (12)Flash Point: 349.8 °C; (13)Enthalpy of Vaporization: 101.33 kJ/mol; (14)Boiling Point: 654.7 °C at 760 mmHg; (15)Vapour Pressure: 4.92E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1O)NC(=O)COS(=O)(=O)c2ccc(cc2)C
(2)InChI: InChI=1/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
(3)InChIKey: HWNUSGNZBAISFM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
(5)Std. InChIKey: HWNUSGNZBAISFM-UHFFFAOYSA-N

Product Name

S3I-201

NSC 74859 Specification

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