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2-Phenyliminothiazolidin-4-one

CAT: 0926-FP169645Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-FP169645Size:5000 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17823-27-7
MDL Number
MFCD00706392
Smiles
C1C (=O) NC (=NC2=CC=CC=C2) S1
Molecular Formula
C9H8N2OS
Molecular Weight
192.24 g/mol
Controlled
No

Chemical Information

2-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CAS Number17823-27-7
PubChem CID135406265
IUPAC Name2-phenylimino-1,3-thiazolidin-4-one
Molecular FormulaC9H8N2OS
Molecular Weight192.24
XLogP1.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity234
SMILES
C1C(=O)NC(=NC2=CC=CC=C2)S1
InChI
InChI=1S/C9H8N2OS/c12-8-6-13-9(11-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChIKey
IYGBTPGRKGQPLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CAS: 17823-27-7
CID: 135406265
Formula: C9H8N2OS
MW: 192.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.24
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass192.03573406
Monoisotopic Mass192.03573406
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity234
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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