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Compound Fr12809

CAT: 0013-GTR19269842-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269842-02Size:5 mg
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Description
Compound Fr12809, with CAS No. 13435-97-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12809 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.
CAS Number
13435-97-7
Smiles
OC (=O) CS\C=C\c1ccccc1
Molecular Formula
C10H10O2S
Molecular Weight
194.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Styrylthio)Acetic Acid

2-(Styrylthio)acetic acid is a member of styrenes.

CAS Number13435-97-7
PubChem CID5474136
IUPAC Name2-[(E)-2-phenylethenyl]sulfanylacetic acid
Molecular FormulaC10H10O2S
Molecular Weight194.25
XLogP2.5
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity183
SMILES
C1=CC=C(C=C1)/C=C/SCC(=O)O
InChI
InChI=1S/C10H10O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)/b7-6+
InChIKey
IUEVBKDVPSQVLM-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of 2-(Styrylthio)Acetic Acid
CAS: 13435-97-7
CID: 5474136
Formula: C10H10O2S
MW: 194.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.25
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass194.04015073
Monoisotopic Mass194.04015073
Topological Polar Surface Area62.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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ALX-550-516-M025Compound A
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PDK0264-01Compound PDK0264
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