Methanone,(2-amino-4,5-dimethyl-3-thienyl)phenyl- supplier

Name
2-AMINO-3-BENZOYL-4,5-DIMETHYLTHIOPHENE
EINECS
CAS No. 42024-93-1
Article Data8
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NOS
Boiling Point 401.2 °C at 760 mmHg
Molecular Weight 231.318
Flash Point 196.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-3-benzoyl-4,5-dimethylthiophene;
PSA 71.33000
LogP 3.75930

Methanone,(2-amino-4,5-dimethyl-3-thienyl)phenyl- Specification

The Methanone,(2-amino-4,5-dimethyl-3-thienyl)phenyl-, with the CAS registry number of 42024-93-1, is also known as 2-Amino-3-benzoyl-4,5-dimethylthiophene. Its molecular formula is C₁₃H₁₃NOS and molecular weight is 231.31. What's more, its systematic name is (2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanon.

Physical properties about the Methanone,(2-amino-4,5-dimethyl-3-thienyl)phenyl- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 132.76; (6)ACD/BCF (pH 7.4): 132.76; (7)ACD/KOC (pH 5.5): 1151.6; (8)ACD/KOC (pH 7.4): 1151.6; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.55 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 68.31 cm³; (15)Molar Volume: 191.8 cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.205 g/cm³; (18)Flash Point: 196.4 °C; (19)Enthalpy of Vaporization: 65.21 kJ/mol; (20)Boiling Point: 401.2 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(c(sc1N)C)C)c2ccccc2
(2) InChI: InChI=1/C13H13NOS/c1-8-9(2)16-13(14)11(8)12(15)10-6-4-3-5-7-10/h3-7H,14H2,1-2H3
(3) InChIKey: JTKCGRTZGKUQJP-UHFFFAOYAU

Product Name

2-AMINO-3-BENZOYL-4,5-DIMETHYLTHIOPHENE

Methanone,(2-amino-4,5-dimethyl-3-thienyl)phenyl- Specification

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