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Benzenemethanamine,4-(methylthio)-

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Name

Benzenemethanamine,4-(methylthio)-

EINECS N/A
CAS No. 83171-39-5 Density 1.09 g/cm3
PSA 51.32000 LogP 2.56750
Solubility N/A Melting Point N/A
Formula C8H11NS Boiling Point 265.2 °C at 760 mmHg
Molecular Weight 153.248 Flash Point 114.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 83171-39-5 (4-(METHYLTHIO)BENZYLAMINE) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

Benzylamine,p-(methylthio)- (7CI);(5-Methylthiophen-2-yl)methanamine;4-(Methylthio)benzylamine;4-Methylsulfanylbenzylamine;

Article Data 7

Benzenemethanamine,4-(methylthio)- Specification

The Benzenemethanamine,4-(methylthio)-, with the CAS registry number 83171-39-5, is also known as 1-[4-(Methylsulfanyl)phenyl]methanamine. This chemical's molecular formula is C8H11NS and molecular weight is 153.24. What's more, its IUPAC name is called (4-Methylsulfanylphenyl)methanamine.

Physical properties about Benzenemethanamine,4-(methylthio)- are: (1) ACD/LogP: 1.58; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.44; (4) ACD/LogD (pH 7.4): -0.28; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 2.38; (9) #H bond acceptors: 1; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 28.54 Å2; (13) Index of Refraction: 1.594; (14) Molar Refractivity: 47.64 cm3; (15) Molar Volume: 140.2 cm3; (16) Surface Tension: 45.3 dyne/cm; (17) Density: 1.09 g/cm3; (18) Flash Point: 114.2 °C; (19) Enthalpy of Vaporization: 50.32 kJ/mol; (20) Boiling Point: 265.2 °C at 760 mmHg; (21) Vapour Pressure: 0.00927 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may destroy living tissue on contact. In addition, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1ccc(cc1)CN)C
(2) InChI: InChI=1/C8H11NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
(3) InChIKey: SBMPBXFNKYJNIC-UHFFFAOYAX

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