5-Methoxybenzoxazole-2-thiol - CAS 49559-83-3
Catalog: |
BB026730 |
Product Name: |
5-Methoxybenzoxazole-2-thiol |
CAS: |
49559-83-3 |
Synonyms: |
5-methoxy-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 5-methoxy-3H-1,3-benzoxazole-2-thione |
Description: | 5-Methoxybenzoxazole-2-thiol (CAS# 49559-83-3) is a useful research chemical. |
Molecular Weight: | 181.21 |
Molecular Formula: | C8H7NO2S |
Canonical SMILES: | COC1=CC2=C(C=C1)OC(=S)N2 |
InChI: | InChI=1S/C8H7NO2S/c1-10-5-2-3-7-6(4-5)9-8(12)11-7/h2-4H,1H3,(H,9,12) |
InChI Key: | QGTUVLRFJOUWBN-UHFFFAOYSA-N |
Boiling Point: | 288.2 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
Appearance: | White to tan powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD03030041 |
LogP: | 2.49900 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021070957-A1 | Benzene condensed ring compound and medical composition containing same | 20191009 |
CN-109962179-B | Thin film, preparation method thereof and QLED device | 20171226 |
EP-3351657-A1 | Electroless copper plating compositions | 20170123 |
KR-102060983-B1 | Electroless copper plating compositions | 20170123 |
KR-20180087144-A | Electroless copper plating compositions | 20170123 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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