Vortioxetine Impurity 55

CAT: 1596-AR-V07012-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V07012-02Size:25 Units

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

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CAS Number

63167-05-5

Molecular Formula

C15H17NS

Molecular Weight

243.37

API Name

Vortioxetine

Chemical Information

N,N-dimethyl-N-[2-(phenylsulfanyl)benzyl]amine

CAS Number	63167-05-5
PubChem CID	3080259
IUPAC Name	N,N-dimethyl-1-(2-phenylsulfanylphenyl)methanamine
Molecular Formula	C15H17NS
Molecular Weight	243.4
XLogP	3.8
Topological Polar Surface Area	28.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	211

SMILES

CN(C)CC1=CC=CC=C1SC2=CC=CC=C2

InChI

InChI=1S/C15H17NS/c1-16(2)12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3

InChIKey

FUIKDYGWMKMQNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63167-05-5

CID: 3080259

Formula: C15H17NS

MW: 243.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.4
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	243.10817072
Monoisotopic Mass	243.10817072
Topological Polar Surface Area	28.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	211
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