Tilomisole

CAT: 0127-BUP08471-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08471-02Size:10 mg

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

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CAS Number

58433-11-7

Synonyms

Wy 18251

Purity

=95%

Smiles

C(C(O)=O)C1=C(N2C(S1)=NC=3C2=CC=CC3)C4=CC=C(Cl)C=C4

Chemical Information

Tilomisole

Tilomisole is a small molecule drug. Tilomisole has a monoisotopic molecular weight of 342.02 Da.

CAS Number	58433-11-7
PubChem CID	42747
IUPAC Name	2-[1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Molecular Formula	C17H11ClN2O2S
Molecular Weight	342.8
XLogP	4.3
Topological Polar Surface Area	82.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	458

SMILES

C1=CC=C2C(=C1)N=C3N2C(=C(S3)CC(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H11ClN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)

InChIKey

PUYFLGQZLHVTHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58433-11-7

CID: 42747

Formula: C17H11ClN2O2S

MW: 342.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.8
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	342.0229765
Monoisotopic Mass	342.0229765
Topological Polar Surface Area	82.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	458
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-106050-01	Tilomisole