Tedatioxetine

CAT: 0127-BUP02752-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP02752-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

508233-95-2

Synonyms

Lu AA 24530, Lu AA-24530, Lu AA24530

Purity

=98%

Smiles

S(C1=CC=C(C=C1)C)C=2C=CC=CC2C3CCNCC3

Chemical Information

Tedatioxetine

Tedatioxetine is a member of piperidines.

CAS Number	508233-95-2
PubChem CID	9878913
IUPAC Name	4-[2-(4-methylphenyl)sulfanylphenyl]piperidine
Molecular Formula	C18H21NS
Molecular Weight	283.4
XLogP	4.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	279

SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3

InChI

InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3

InChIKey

CVASBKDYSQKLSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 508233-95-2

CID: 9878913

Formula: C18H21NS

MW: 283.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.4
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	283.13947085
Monoisotopic Mass	283.13947085
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	279
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
T34795-01	Tedatioxetine
HY-101755-01	Tedatioxetine (hydrobromide)
T13110-01	Tedatioxetine hydrobromide
A19418-1	Tedatioxetine hydrobromide 1mg
A19418-100	Tedatioxetine hydrobromide 100mg
A19418-50	Tedatioxetine hydrobromide 50mg
A19418-25	Tedatioxetine hydrobromide 25mg
A19418-10	Tedatioxetine hydrobromide 10mg
A19418-5	Tedatioxetine hydrobromide 5mg
A19418-10mM-D	Tedatioxetine hydrobromide 10mM * 1mL in DMSO