(4,5-Dimethyl-3-thienyl)methanol - CAS 119072-18-3
Catalog: |
BB004403 |
Product Name: |
(4,5-Dimethyl-3-thienyl)methanol |
CAS: |
119072-18-3 |
Synonyms: |
(4,5-dimethyl-3-thiophenyl)methanol; (4,5-dimethylthiophen-3-yl)methanol |
IUPAC Name: | (4,5-dimethylthiophen-3-yl)methanol |
Description: | (4,5-Dimethyl-3-thienyl)methanol (CAS# 119072-18-3) is a useful research chemical. |
Molecular Weight: | 142.22 |
Molecular Formula: | C7H10OS |
Canonical SMILES: | CC1=C(SC=C1CO)C |
InChI: | InChI=1S/C7H10OS/c1-5-6(2)9-4-7(5)3-8/h4,8H,3H2,1-2H3 |
InChI Key: | LPJCGFQYTJHIFL-UHFFFAOYSA-N |
Boiling Point: | 246.1 °C at 760 mmHg |
Density: | 1.135 g/cm3 |
LogP: | 1.85720 |
Publication Number | Title | Priority Date |
AU-2015349866-A1 | 4-oxo-3,4-dihydro-1,2,3-benzotriazines as modulators of GPR139 | 20141120 |
CA-2968242-A1 | 4-oxo-3,4-dihydro-1,2,3-benzotriazines as modulators of gpr139 | 20141120 |
EA-033728-B1 | 4-Oxo-3,4-dihydro-1,2,3-benzotriazines as modulators GPR139 | 20141120 |
EP-3221298-A1 | 4-oxo-3,4-dihydro-1,2,3-benzotriazines as modulators of gpr139 | 20141120 |
EP-3221298-B1 | 4-oxo-3,4-dihydro-1,2,3-benzotriazine derivatives as modulators of gpr139 | 20141120 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.04523611 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.04523611 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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