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CAS No.: | 6038-19-3 |
---|---|
Name: | DL-Homocysteinethiolactone hydrochloride |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H8ClNOS |
Molecular Weight: | 153.633 |
Synonyms: | 2(3H)-Thiophenone,3-aminodihydro-, hydrochloride (9CI);HCTL hydrochloride;Homocysteine thiolactonehydrochloride;NSC 22879; |
EINECS: | 227-923-3 |
Density: | 0.862 g/cm3 |
Melting Point: | 202 °C (dec.)(lit.) |
Boiling Point: | 253.8 °C at 760 mmHg |
Flash Point: | 107.3 °C |
Solubility: | 740.5 g/L (20 °C) in water |
Appearance: | White crystalline powder |
Safety: | 24/25 |
PSA: | 68.39000 |
LogP: | 1.47950 |
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IUPAC Name: 3-Aminothiolan-2-one hydrochloride
Following is the structure of 2(3H)-Thiophenone,3-aminodihydro-, hydrochloride (1:1) (CAS NO.6038-19-3):
Empirical Formula: C4H8ClNOS
Molecular Weight: 153.6304 g/mol
EINECS: 227-923-3
Melting point: 199-203 °C
Water solubility: 740.5 g/L (20 °C)
Enthalpy of Vaporization: 49.12 kJ/mol
Boiling Point: 253.8 °C at 760 mmHg
Flash Point: 107.3 °C
Vapour Pressure: 0.0179 mmHg at 25 °C
Appearance: White Crystalline Powder
Classification Code: Drug / Therapeutic Agent
Product Categories: Amino Acids; Heterocyclic Compounds; Amines;Heterocycles; Sulfur & Selenium Compounds
Canonical SMILES: CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1
InChI: InChI=1S/C10H15N6O/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9/h5-7H,1-4H3/q+1
InChIKey: WXIONIWNXBAHRU-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 770mg/kg (770mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 72, 1958. |
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: XN1928400
Hazard Class: 6.1
Packing Group: I; II
F: 1-8-9
2(3H)-Thiophenone,3-aminodihydro-, hydrochloride (1:1) , its cas register number is 6038-19-3. It also can be called (+-)-Dihydro-3-amino-2(3H)-thiophenone hydrochloride ; D,L-Homocysteine thiolactone hydrochloride ; D,L-Homocysteinthiolakton chlorid ; HCTL hydrochloride ; and 2(3H)-Thiophenone, dihydro-3-amino-, hydrochloride, (+-)- . 2(3H)-Thiophenone,3-aminodihydro-, hydrochloride (1:1) (CAS NO.6038-19-3) should be kept away from heat, sparks, and flame, alsoshould be kept away from sources of ignition. It should be stored in a tightly closed container, or stored in a cool, dry, well-ventilated area away from incompatible substances and Flammables-area. In addition, 2(3H)-Thiophenone,3-aminodihydro-, hydrochloride (1:1) (CAS NO.6038-19-3) could be stable under normal temperatures and pressures. While, it should avoid the condition of incompatible materials. And it is also not compatible with other materials strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen, hydrogen sulfide. And its hazardous polymerization has not been reported.