CAS No.35370-80-0,2-PHENOXYTHIOACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35370-80-0
Name:	2-PHENOXYTHIOACETAMIDE
Article Data:	1

Formula:	C₈H₉NOS
Molecular Weight:	167.232
Synonyms:	2-Phenoxyethanethioamide;1-Amino-2-phenoxyethane-1-thione;2-Phenoxythioacetamide;
Density:	1.206 g/cm³
Melting Point:	114-116 °C
Boiling Point:	302.9 °C at 760 mmHg
Flash Point:	137 °C
Risk Codes:	43
Safety:	36/37
PSA:	67.34000
LogP:	2.05180

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Specification

The Ethanethioamide, 2-phenoxy-, with the CAS registry number 35370-80-0, is also known as 2-Phenoxythioacetamide. This chemical's molecular formula is C₈H₉NOS and molecular weight is 167.23. What's more, its systematic name is 2-phenoxyethanethioamide. It should be sealed and stored in a cool and dry place.

Physical properties of Ethanethioamide, 2-phenoxy- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/BCF (pH 5.5): 6.33; (5)ACD/KOC (pH 5.5): 130.34; (6)ACD/KOC (pH 7.4): 130.35; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 44.56 Å²; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 48.38 cm³; (13)Molar Volume: 138.6 cm³; (14)Surface Tension: 56 dyne/cm; (15)Density: 1.206 g/cm³; (16)Flash Point: 137 °C; (17)Enthalpy of Vaporization: 54.31 kJ/mol; (18)Boiling Point: 302.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000962 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OCC(=S)N
(2)InChI: InChI=1S/C8H9NOS/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11)
(3)InChIKey: XORPVBXCJIPCBQ-UHFFFAOYSA-N