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

C18H23ClN2S — CID 53237898

IUPAC1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCc1cccc(Sc2ccccc2N2CCNCC2)c1C.Cl
InChIInChI=1S/C18H22N2S.ClH/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20;/h3-9,19H,10-13H2,1-2H3;1H
InChIKeyHHVBUSGGPUQAOP-UHFFFAOYSA-N
MW334.92 g/mol
LogP4.29
Rot. Bonds3

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

1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride (PubChem CID 53237898) has the molecular formula C18H23ClN2S and a molecular weight of 334.92 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride
PubChem CID53237898
Molecular FormulaC18H23ClN2S
Molecular Weight334.92 g/mol
Exact Mass334.13
IUPAC Name1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCc1cccc(Sc2ccccc2N2CCNCC2)c1C.Cl
InChIInChI=1S/C18H22N2S.ClH/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20;/h3-9,19H,10-13H2,1-2H3;1H
InChIKeyHHVBUSGGPUQAOP-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfanylphenyl)piperazine;hydrochloride
CID 76852196
3-methyl-4-(2-piperazin-1-ylphenyl)sulfanylbenzoic acid
CID 118753351
acetylene;1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;ethane
CID 145260602
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;oxalic acid
CID 118277120
bis(1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine);oxalic acid
CID 172741870
1-[2-[4-(dideuteriomethyl)-2-methylphenyl]sulfanylphenyl]piperazine
CID 86342092
1-[2-(4-tert-butylphenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237663
2-(2,4-dimethylphenyl)sulfanylaniline;1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
CID 159928623
1-[2-(2-methoxy-4-methylphenyl)sulfanylphenyl]piperazine
CID 53238123
1-[2-[2-methyl-4-(trifluoromethyl)phenyl]sulfanylphenyl]piperazine;sulfuric acid
CID 138628169
17-[5-methyl-2-(2-piperazin-1-ylphenyl)sulfanylphenyl]heptadecanoic acid
CID 139427918
7-chloro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11595366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride (CID 53237898) is 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride is Cc1cccc(Sc2ccccc2N2CCNCC2)c1C.Cl.
What is the InChIKey of 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride?
The InChIKey is HHVBUSGGPUQAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S.ClH/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20;/h3-9,19H,10-13H2,1-2H3;1H.
What are the key properties of 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride?
1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride has a molecular weight of 334.92 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride is sourced from PubChem (CID 53237898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).