(3-Thien-2-ylphenyl)methanol
Basic information
- CAS
103669-00-7- Standard SMILES
OCc1cccc(-c2cccs2)c1- InChIKey
SATFADRDDGOLJP-UHFFFAOYSA-N- Molecular formula
- C11H10OS
- Average molar mass
- 190.26 g/mol
- Monoisotopic mass
- 190.04523611
Names & identifiers
- Preferred name
- (3-Thien-2-ylphenyl)methanol
- IUPAC
- (3-thiophen-2-ylphenyl)methanol
- English name
- 3-(2-Thienyl)benzyl alcohol
- Molecular formula
- C11H10OS
- Molecular weight
- 190.26
Names & synonyms
103669-00-7(3-Thien-2-ylphenyl)methanol(3-(thiophen-2-yl)phenyl)methanol[3-(thiophen-2-yl)phenyl]methanol(3-thiophen-2-ylphenyl)methanol[3-(2-thienyl)phenyl]methanolBenzenemethanol,3-(2-thienyl)-SCHEMBL477487orb3169985DTXSID504287553-(Thiophen-2-yl)benzyl alcoholFr12676
Show more names
AKOS BAR-1365Compound Fr12676RARECHEM AL BD 14463-(2-Thienyl)benzyl alcohol3-(2-Thienyl)benzenemethanolBenzenemethanol, 3-(2-thienyl)-(3-Thien-2-ylphenyl)methanol 97%
(3-(2-thienyl)phenyl)methan-1-olMFCD06203108SBB091157AKOS004119000MS-22321CS-0362866
Database identifiers
- CAS
103669-00-7- PubChem CID
- 7537586
- DTXSID
DTXSID50428755- Nikkaji
- J973.104K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 46 °C · 46 °C
- Boiling point
- 333 · 333.0±22.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 14.26 · 14.26±0.10(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/22-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- risk_code
- 20/22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
Chemistry & industry
Applications
Uses(3-Thien-2-ylphenyl)methanol induces a conformation in HIV TAR RNA capable of binding drug-like fragments. It can also be used to screen for infectious disease drug targets.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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