TCS PIM-1 4a

CAT: 0024-sc-296450Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-296450Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

438190-29-5

Chemical Information

SMI-4a

CAS Number	438190-29-5
PubChem CID	1361334
IUPAC Name	(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Molecular Formula	C11H6F3NO2S
Molecular Weight	273.23
XLogP	3.1
Topological Polar Surface Area	71.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	406

SMILES

C1=CC(=CC(=C1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2

InChI

InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-

InChIKey

NGJLOFCOEOHFKQ-YVMONPNESA-N

Chemical Structure

2D Structure

CAS: 438190-29-5

CID: 1361334

Formula: C11H6F3NO2S

MW: 273.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	273.23
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	273.00713409
Monoisotopic Mass	273.00713409
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes