Ethyl 3-amino-3-thioxopropanoate supplier

Name
Ethyl 3-amino-3-thioxopropanoate
EINECS
CAS No. 13621-50-6
Article Data12
CAS DataBase
Density 1.194 g/cm³
Solubility
Melting Point 78-79℃
Formula C₅H₉NO₂S
Boiling Point 232.6 °C at 760 mmHg
Molecular Weight 147.198
Flash Point 94.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonamicacid, 3-thio-, ethyl ester (6CI,8CI);(Ethoxycarbonyl)thioacetamide;Ethyl3-amino-3-thioxopropanoate;Ethyl thiocarbamoylacetate;Thiocarbamoylaceticacid ethyl ester;a-Ethoxycarbonylthioacetamide;
PSA 84.41000
LogP 0.92600

Ethyl 3-amino-3-thioxopropanoate Specification

The Ethyl 3-amino-3-thioxopropanoate is an organic compound with the formula C₅H₉NO₂S. The IUPAC name of this chemical is ethyl 3-amino-3-sulfanylidenepropanoate. With the CAS registry number 13621-50-6, it is also named as Ethyl 3-amino-3-thioxopropanoate.

Physical properties about Ethyl 3-amino-3-thioxopropanoate are: (1)ACD/LogP: 0.37; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): 0.37; (4)ACD/BCF (pH 5.5): 1.13; (5)ACD/BCF (pH 7.4): 1.13; (6)ACD/KOC (pH 5.5): 37.94; (7)ACD/KOC (pH 7.4): 37.94; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 61.63 Å²; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 37.81 cm³; (14)Molar Volume: 123.2 cm³; (15)Polarizability: 14.99×10^-24cm³; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.194 g/cm³; (18)Flash Point: 94.5 °C; (19)Enthalpy of Vaporization: 46.93 kJ/mol; (20)Boiling Point: 232.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0586 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(=S)N
(2)InChI: InChI=1/C5H9NO2S/c1-2-8-5(7)3-4(6)9/h2-3H2,1H3,(H2,6,9)
(3)InChIKey: IBHOWDPRDYMIMO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H9NO2S/c1-2-8-5(7)3-4(6)9/h2-3H2,1H3,(H2,6,9)
(5)Std. InChIKey: IBHOWDPRDYMIMO-UHFFFAOYSA-N

Product Name

Ethyl 3-amino-3-thioxopropanoate

Ethyl 3-amino-3-thioxopropanoate Specification

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