2-(Methylthio)-2-thiazoline - CAS 19975-56-5
Catalog: |
BB015421 |
Product Name: |
2-(Methylthio)-2-thiazoline |
CAS: |
19975-56-5 |
Synonyms: |
2-methylsulfanyl-4,5-dihydro-1,3-thiazole |
IUPAC Name: | 2-methylsulfanyl-4,5-dihydro-1,3-thiazole |
Description: | 2-(Methylthio)-2-thiazoline (CAS# 19975-56-5) is used as a reagent in the synthesis of new thiazole derivatives including a guanidine group, which can be used as human vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema. |
Molecular Weight: | 133.24 |
Molecular Formula: | C4H7NS2 |
Canonical SMILES: | CSC1=NCCS1 |
InChI: | InChI=1S/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3 |
InChI Key: | QFGRBBWYHIYNIB-UHFFFAOYSA-N |
Boiling Point: | 216 °C |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
Appearance: | Light yellow clear liquid |
MDL: | MFCD00005312 |
LogP: | 0.88780 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21588173 | 20100717 | (OC-6-33)-(2,2'-Bipyridine-κN,N')trimeth-yl(2-methyl-sulfanyl-2-thia-zoline-κN)platinum(IV) tetra-fluoridoborate | Acta crystallographica. Section E, Structure reports online |
12951150 | 20030915 | Synthesis of N-benzyl- and N-phenyl-2-amino-4,5-dihydrothiazoles and thioureas and evaluation as modulators of the isoforms of nitric oxide synthase | Bioorganic & medicinal chemistry |
Complexity: | 89.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.00199157 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.00199157 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Thiazolines/Thiazolidines
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