2-Chloro-4,5,6,7-tetrahydrobenzothiazole - CAS 26846-98-0
Catalog: |
BB019380 |
Product Name: |
2-Chloro-4,5,6,7-tetrahydrobenzothiazole |
CAS: |
26846-98-0 |
Synonyms: |
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole; 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole |
IUPAC Name: | 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole |
Description: | 2-Chloro-4,5,6,7-tetrahydrobenzothiazole (CAS# 26846-98-0) is a useful research chemical. |
Molecular Weight: | 173.66 |
Molecular Formula: | C7H8ClNS |
Canonical SMILES: | C1CCC2=C(C1)N=C(S2)Cl |
InChI: | InChI=1S/C7H8ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2 |
InChI Key: | LDJUCUDNAZQFIZ-UHFFFAOYSA-N |
Boiling Point: | 292.5 °C at 760 mmHg |
Density: | 1.326 g/cm3 |
MDL: | MFCD08689787 |
LogP: | 2.67530 |
Publication Number | Title | Priority Date |
US-2011251386-A1 | Acetic acid amide derivative having inhibitory activity on endothelial lipase | 20081017 |
US-2014288302-A1 | Acetic acid amide derivative having inhibitory activity on endothelial lipase | 20081017 |
US-8957219-B2 | Acetic acid amide derivative having inhibitory activity on endothelial lipase | 20081017 |
IL-159438-A | History of diamine | 20010620 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0065981 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0065981 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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