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Basic Information
CAS No.: 41383-84-0
Name: [2-(sulfanylmethyl)phenyl]methanethiol
Molecular Structure:
Molecular Structure of 41383-84-0 ([2-(sulfanylmethyl)phenyl]methanethiol)
Formula: C8H10S2
Molecular Weight: 170.299
Synonyms: 2-(Mercaptomethyl)benzyl hydrosulfide;
Density: 1.134 g/cm3
Boiling Point: 284.3 °C at 760 mmHg
Flash Point: 115.1 °C
PSA: 77.60000
LogP: 2.54620
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Specification

The 1,2-Benzenedimethanethiol, with the CAS registry number of 41383-84-0, is also known as 2-(Mercaptomethyl)benzyl hydrosulfide. This chemical's molecular formula is C8H10S2 and molecular weight is 170.295000. What's more, its IUPAC name is [2-(Sulfanylmethyl)phenyl]methanethiol.

Physical properties about the 1,2-Benzenedimethanethiol are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 220.48; (6)ACD/BCF (pH 7.4): 217.5; (7)ACD/KOC (pH 5.5): 1655.66; (8)ACD/KOC (pH 7.4): 1633.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 51.87 cm3; (15)Molar Volume: 150.1 cm3; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.134 g/cm3; (18)Flash Point: 115.1 °C; (19)Enthalpy of Vaporization: 50.23 kJ/mol; (20)Boiling Point: 284.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00514 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: SCc1ccccc1CS
(2) InChI: InChI=1/C8H10S2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2
(3) InChIKey: NNJWFWSBENPGEY-UHFFFAOYAS