CAS No.33877-11-1,(S)-1-Phenylethanethiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33877-11-1
Name:	(S)-1-Phenylethanethiol
Article Data:	30

Formula:	C₈H₁₀S
Molecular Weight:	138.233
Synonyms:	Benzenemethanethiol,a-methyl-, (S)-;a-Toluenethiol, a-methyl-, (S)-(-)- (8CI);
Density:	1.009 g/cm³
Melting Point:	-30°C (estimate)
Boiling Point:	200.197 °C at 760 mmHg
Flash Point:	77.941 °C
PSA:	38.80000
LogP:	2.67740

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Specification

The (S)-1-Phenylethanethiol, with the CAS registry number 33877-11-1, is also known as Benzenemethanethiol, alpha-methyl-, (S)-. This chemical's molecular formula is C₈H₁₀S and formula weight is 138.23. What's more, both its IUPAC name and systematic name are the same which is called 1-Phenylethanethiol.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 130.51; (6)ACD/BCF (pH 7.4): 129.93; (7)ACD/KOC (pH 5.5): 1137.59; (8)ACD/KOC (pH 7.4): 1132.54; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 43.7 cm³; (15)Molar Volume: 137 cm³; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1.008 g/cm³; (18)Flash Point: 77.9 °C; (19)Enthalpy of Vaporization: 41.86 kJ/mol; (20)Boiling Point: 200.2 °C at 760 mmHg; (21)Vapour Pressure: 0.465 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: SC(c1ccccc1)C
(2)InChI: InChI=1/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
(3)InChIKey: QZZBJCFNHPYNKO-UHFFFAOYAM