CAS No.23153-09-5,4-(Methylsulfanyl)-2-nitroaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23153-09-5
Name:	4-(Methylsulfanyl)-2-nitroaniline
Article Data:	3

Formula:	C₇H₈N₂O₂S
Molecular Weight:	184.219
Synonyms:	Aniline,4-(methylthio)-2-nitro- (6CI,8CI);1-Amino-2-nitro-4-methylthiobenzene;4-(Methylsulfanyl)-2-nitroaniline;4-(Methylthio)-2-nitroaniline;
Density:	1.35 g/cm³
Boiling Point:	343.4 °C at 760 mmHg
Flash Point:	161.5 °C
PSA:	97.14000
LogP:	3.00330

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Specification

The Benzenamine,4-(methylthio)-2-nitro-, with the CAS registry number 23153-09-5, is also known as 1-Amino-2-nitro-4-methylthiobenzene. It belongs to the product category of Amines and Anilines. This chemical's molecular formula is C₇H₈N₂O₂S and molecular weight is 184.22. What's more, its systematic name is 4-(methylsulfanyl)-2-nitroaniline.

Physical properties of Benzenamine,4-(methylthio)-2-nitro- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.38; (6)ACD/BCF (pH 7.4): 40.38; (7)ACD/KOC (pH 5.5): 491.28; (8)ACD/KOC (pH 7.4): 491.28; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.36 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 49.04 cm³; (15)Molar Volume: 135.8 cm³; (16)Polarizability: 19.44×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 161.5 °C; (20)Enthalpy of Vaporization: 58.72 kJ/mol; (21)Boiling Point: 343.4 °C at 760 mmHg; (22)Vapour Pressure: 7.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(SC)ccc1N
(2)InChI: InChI=1S/C7H8N2O2S/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
(3)InChIKey: LWFOZCFJVOGQAM-UHFFFAOYSA-N