1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride

2.1.2 InChI

InChI=1S/C18H22N2S.ClH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H

2.1.3 InChI Key

JOJYHYRCIYAVHN-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

ZQ9BV9DXH4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 960203-28-5

2. Vortioxetine Hydrochloride

3. 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride

4. 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine Hydrochloride

5. Chembl2204360

6. 1-[2-[(2,4-dimethylphenyl)thio]phenyl]piperazine Hydrochloride

7. Jojyhyrciyavhn-uhfffaoysa-n

8. Zq9bv9dxh4

9. Schembl966801

10. Akos025395803

11. Bs-50413

12. Cs-0161979

13. F16842

14. 1-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine Hcl

15. 1-[2-(2,4-dimethylphenylsulfanyl)-phenyl]piperazine Hcl

16. 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine Hydrochloride

17. Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-, Hydrochloride (1:1)

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₃ClN₂S
Molecular Weight	334.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	40.6
Heavy Atom Count	22
Formal Charge	0
Complexity	316
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	2

CAS 960203-28-5