3-Aminodihydrothiophen-2-one supplier

Name
3-Aminodihydrothiophen-2-one
EINECS
CAS No. 14007-10-4
Article Data2
CAS DataBase
Density 1.269g/cm³
Solubility
Melting Point
Formula C₄H₇NOS
Boiling Point 253.8 °C at 760 mmHg
Molecular Weight 117.172
Flash Point 107.3°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 2-amino-4-mercapto-, g-(thio lactone) (6CI);2(3H)-Thiophenone, 3-aminodihydro-, (+-)-;Butanoic acid, 2-amino-4-mercapto-, g-(thio lactone);DL-3-Aminotetrahydro-2-thiophenone;DL-Homocysteine thiolactone;Homocysteine-g-thiolactone;
PSA 68.39000
LogP 0.67750

3-Aminodihydrothiophen-2-one Specification

The 3-Aminodihydrothiophen-2-one with its cas register number is 14007-10-4. It also can be called as Homocysteine thiolactone and the IUPAC Name about this chemical is 3-aminothiolan-2-one.

Physical properties about 3-Aminodihydrothiophen-2-one are: (1)ACD/LogP: -0.42; (2)ACD/LogD (pH 5.5): -2.37; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.39; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.61Å²; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 30.29 cm³; (14)Molar Volume: 92.2 cm³; (15)Polarizability: 12x10^-24cm³; (16)Surface Tension: 50.3 dyne/cm; (17)Enthalpy of Vaporization: 49.12 kJ/mol; (18)Vapour Pressure: 0.0179 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CSC(=O)C1N
(2)InChI: InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
(3)InChIKey: KIWQWJKWBHZMDT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	848mg/kg (848mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 284, 1971.

Product Name

3-Aminodihydrothiophen-2-one

3-Aminodihydrothiophen-2-one Specification

Related Products

Hot Products