Name: METHYLTHIOMETHYLMERCAPTAN
SKU: 29414-47-9

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Basic Information

Molecular Structure:
CAS No.:	29414-47-9
Name:	METHYLTHIOMETHYLMERCAPTAN
Article Data:	11

Formula:	C₂H₆S₂
Molecular Weight:	94.2016
Synonyms:	(Methylthio)methanethiol;Methanethiol,(methylthio)- (6CI,7CI,8CI,9CI);
Density:	1.052 g/cm³
Boiling Point:	124.824 °C at 760 mmHg
Flash Point:	29.293 °C
PSA:	64.10000
LogP:	1.23670

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Specification

The Methylthiomethylmercaptan, with the CAS registry number 29414-47-9, is also known as Methanethiol, (methylthio)-. This chemical's molecular formula is C₂H₆S₂ and molecular weight is 94.20. What's more, its systematic name is (Methylsulfanyl)methanethiol.

Physical properties of Methylthiomethylmercaptan are: (1)ACD/LogP: 1.316; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.89; (6)ACD/BCF (pH 7.4): 5.82; (7)ACD/KOC (pH 5.5): 123.81; (8)ACD/KOC (pH 7.4): 122.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.1 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 27.208 cm³; (15)Molar Volume: 89.566 cm³; (16)Polarizability: 10.786×10^-24cm³; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 1.052 g/cm³; (19)Flash Point: 29.293 °C; (20)Enthalpy of Vaporization: 34.773 kJ/mol; (21)Boiling Point: 124.824 °C at 760 mmHg; (22)Vapour Pressure: 15.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: SCSC
(2)Std. InChI: InChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3
(3)Std. InChIKey: IXBUFAUQDFHNGI-UHFFFAOYSA-N