5-Methoxy-3-methylbenzothiophene - CAS 25784-98-9
Catalog: |
BB019031 |
Product Name: |
5-Methoxy-3-methylbenzothiophene |
CAS: |
25784-98-9 |
Synonyms: |
5-methoxy-3-methyl-1-benzothiophene; 5-methoxy-3-methyl-1-benzothiophene |
IUPAC Name: | 5-methoxy-3-methyl-1-benzothiophene |
Description: | 5-Methoxy-3-methylbenzothiophene (CAS# 25784-98-9 ) is a useful research chemical. |
Molecular Weight: | 178.25 |
Molecular Formula: | C10H10OS |
Canonical SMILES: | CC1=CSC2=C1C=C(C=C2)OC |
InChI: | InChI=1S/C10H10OS/c1-7-6-12-10-4-3-8(11-2)5-9(7)10/h3-6H,1-2H3 |
InChI Key: | XRSDMANDXZPQBY-UHFFFAOYSA-N |
Boiling Point: | 66 - 70 °C (0.05 mmHg) |
LogP: | 3.21830 |
Publication Number | Title | Priority Date |
EP-2616450-A2 | Sulfonamide compounds | 20100917 |
EP-2616450-B1 | Sulfonamide compounds | 20100917 |
US-2013172339-A1 | Sulfonamide compounds | 20100917 |
US-9233946-B2 | Sulfonamide compounds | 20100917 |
WO-2012035171-A2 | New compounds | 20100917 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.04523611 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.04523611 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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