2-Chloro-6-methoxybenzothiazole - CAS 2605-14-3
Catalog: |
BB019118 |
Product Name: |
2-Chloro-6-methoxybenzothiazole |
CAS: |
2605-14-3 |
Synonyms: |
2-chloro-6-methoxy-1,3-benzothiazole |
IUPAC Name: | 2-chloro-6-methoxy-1,3-benzothiazole |
Description: | 2-Chloro-6-methoxybenzothiazole (CAS# 2605-14-3) is a useful research chemical. |
Molecular Weight: | 199.66 |
Molecular Formula: | C8H6ClNOS |
Canonical SMILES: | COC1=CC2=C(C=C1)N=C(S2)Cl |
InChI: | InChI=1S/C8H6ClNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3 |
InChI Key: | FVUFTABOJFRHSU-UHFFFAOYSA-N |
Boiling Point: | 133 °C / 7 mmHg |
Melting Point: | 52-56 °C |
Purity: | 95 % |
Density: | 1.404 g/cm3 |
Appearance: | White to yellow powder to crystals |
MDL: | MFCD00671510 |
LogP: | 2.95830 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021070957-A1 | Benzene condensed ring compound and medical composition containing same | 20191009 |
WO-2020146822-A1 | Leukotriene synthesis inhibitors | 20190111 |
CN-109456281-A | A kind of preparation method of the chloro- 6- methoxybenzothiazole of 2- | 20181226 |
CN-109485620-A | A kind of preparation method of 2- methoxyl group -6- methoxybenzothiazole | 20181226 |
WO-2020069330-A2 | Inhibitors of vap-1 | 20180928 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.9858627 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.9858627 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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