DL-N-Acetylhomocysteine thiolactone - CAS 1195-16-0
Catalog: |
BB004516 |
Product Name: |
DL-N-Acetylhomocysteine thiolactone |
CAS: |
1195-16-0 |
Synonyms: |
Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-; Butyric acid, 2-acetamido-4-mercapto-, γ-(thio lactone); N-(Tetrahydro-2-oxo-3-thienyl)acetamide; 2-Acetamido-4-mercaptobutyric acid thiolactone; DL-3-(Acetylamino)tetrahydro-2-thiophenone; AHCTL; BO 714; Citiolase; Citiolone; N-(2-Oxotetrahydrothiophen-3-yl)acetamide; N-Acetyl-DL-homocysteine thiolactone; N-Acetylhomocysteine thiolactone; NSC 22878; Thioxidrene; α-Acetamido-γ-thiobutyrolactone |
Related CAS: | 17896-21-8 (Deleted CAS) 34148-12-4 (Deleted CAS)
|
IUPAC Name: | N-(2-oxothiolan-3-yl)acetamide |
Description: | DL-N-Acetylhomocysteine thiolactone, an amino acid cysteine derivative, could be used against some liver diseases. |
Molecular Weight: | 159.21 |
Molecular Formula: | C6H9NO2S |
Canonical SMILES: | CC(=O)NC1CCSC1=O |
InChI: | InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8) |
InChI Key: | NRFJZTXWLKPZAV-UHFFFAOYSA-N |
Boiling Point: | 427.3±34.0°C at 760 mmHg |
Melting Point: | 112°C |
Purity: | ≥95% |
Density: | 1.26±0.1 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | White to Almost White Solid |
Storage: | Store at -20°C |
MDL: | MFCD00005480 |
LogP: | 0.54550 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
21972597 | 20110801 | [Conjugation of Plasmodium falciparum Pfs25 to Pseudomonas aeruginosa ExoProtein A with different chemical linkers] | Zhongguo ji sheng chong xue yu ji sheng chong bing za zhi = Chinese journal of parasitology & parasitic diseases |
12572686 | 20030601 | Organelle specific enzyme markers as indicators of methylmercury neurotoxicity and antidotal efficacy in mice | Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine |
12064059 | 20020101 | High-performance liquid chromatographic determination of alpha-amino acids in pharmaceutical dosage forms using aqueous mobile phase containing copper (II) ions | Bollettino chimico farmaceutico |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.03539970 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.03539970 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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