CAS No.100-38-9,2-Diethylaminoethanethiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100-38-9
Name:	2-Diethylaminoethanethiol
Article Data:	40

Formula:	C₆H₁₅NS
Molecular Weight:	133.258
Synonyms:	(2-Mercaptoethyl)diethylamine;Ethanethiol,2-(diethylamino)-;2-(Diethylamino)ethyl mercaptan;2-(N,N-Diethylamino)ethanethiol;Diethyl(2-mercaptoethyl)amine;Diethylcysteamine;N,N-Diethylcysteamine;NSC 49193;
EINECS:	202-846-8
Density:	0.895 g/cm³
Melting Point:	127-129°C(lit.)
Boiling Point:	161.588 °C at 760 mmHg
Flash Point:	51.527 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	42.04000
LogP:	1.25800

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Specification

2-Diethylaminoethanethiol is an organic compound with the formula C₆H₁₅NS, and its systematic name is the same with the product name. With the CAS registry number 100-38-9, it is also named as N,N-Diethylcysteamine. Its EINECS number is 202-846-8. In addition, the molecular weight is 133.26.

Physical properties of 2-Diethylaminoethanethiol are: (1)ACD/LogP: 1.913; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.04 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 41.464 cm³; (15)Molar Volume: 148.877 cm³; (16)Polarizability: 16.438×10^-24cm³; (17)Surface Tension: 29.994 dyne/cm; (18)Density: 0.895 g/cm³; (19)Flash Point: 51.527 °C; (20)Enthalpy of Vaporization: 39.817 kJ/mol; (21)Boiling Point: 161.588 °C at 760 mmHg; (22)Vapour Pressure: 2.3 mmHg at 25°C.

Uses of 2-Diethylaminoethanethiol: it can be used to produce b-(2-N,N-diethylaminoethylthio)acrylic acid. It will need reagent liquid NH₃ with the reaction time of 9 hours. The yield is about 99%.

2-Diethylaminoethanethiol can be used to produce b-(2-N,N-diethylaminoethylthio)acrylic acid

You can still convert the following datas into molecular structure:
(1)SMILES: SCCN(CC)CC
(2)Std. InChI: InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
(3)Std. InChIKey: YBDSNEVSFQMCTL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	42500mg/m³ (42500mg/m³)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(7), Pg. 26, 1969.
mouse	LD50	intraperitoneal	96mg/kg (96mg/kg)		Biochemical Pharmacology. Vol. 14, Pg. 289, 1965.
mouse	LD50	oral	231mg/kg (231mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(7), Pg. 26, 1969.
mouse	LD50	subcutaneous	120mg/kg (120mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 109, Pg. 108, 1957.