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Compound Fr12673

CAT: 0931-Fr12673-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12673-02Size:5 mg
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CAS Number
773872-97-2
Bioactivity
Compound Fr12673, with CAS No. 773872-97-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12673 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
OCc1ccccc1-c1cccs1
Molecular Formula
C11H10OS
Molecular Weight
190.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-(Thiophen-2-yl)phenyl)methanol
CAS Number773872-97-2
PubChem CID2795559
IUPAC Name(2-thiophen-2-ylphenyl)methanol
Molecular FormulaC11H10OS
Molecular Weight190.26
XLogP2.4
Topological Polar Surface Area48.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
C1=CC=C(C(=C1)CO)C2=CC=CS2
InChI
InChI=1S/C11H10OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7,12H,8H2
InChIKey
IUULMJAEIKVTKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(Thiophen-2-yl)phenyl)methanol
CAS: 773872-97-2
CID: 2795559
Formula: C11H10OS
MW: 190.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.26
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass190.04523611
Monoisotopic Mass190.04523611
Topological Polar Surface Area48.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes