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Compound EN300-230534

CAT: 0931-TPL0424-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0424-01Size:100 mg
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CAS Number
577-47-9
Bioactivity
Compound EN300-230534, with CAS No. 577-47-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-230534 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
O=C(N1CC(=O)NC1=S)C1=CC=CC=C1
Molecular Formula
C10H8N2O2S
Molecular Weight
220.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Benzoyl-2-thiohydantoin
CAS Number577-47-9
PubChem CID949912
IUPAC Name1-benzoyl-2-sulfanylideneimidazolidin-4-one
Molecular FormulaC10H8N2O2S
Molecular Weight220.25
XLogP1.2
Topological Polar Surface Area81.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity311
SMILES
C1C(=O)NC(=S)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)
InChIKey
YTMVOQHVLQJLML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzoyl-2-thiohydantoin
CAS: 577-47-9
CID: 949912
Formula: C10H8N2O2S
MW: 220.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.25
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass220.03064868
Monoisotopic Mass220.03064868
Topological Polar Surface Area81.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity311
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

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GTR19270223-01Compound EN300-113927
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