3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride

C17H20Cl3NS — CID 3048655

IUPAC3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCc1ccc(Cl)cc1Sc1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H19Cl2NS.ClH/c1-20(2)11-3-4-13-5-6-15(19)12-17(13)21-16-9-7-14(18)8-10-16;/h5-10,12H,3-4,11H2,1-2H3;1H
InChIKeyGBSYQULNTORLBG-UHFFFAOYSA-N
MW376.78 g/mol
LogP6.06
Rot. Bonds6

About 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride

3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 3048655) has the molecular formula C17H20Cl3NS and a molecular weight of 376.78 g/mol. Its IUPAC name is 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID3048655
Molecular FormulaC17H20Cl3NS
Molecular Weight376.78 g/mol
Exact Mass375.04
IUPAC Name3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCc1ccc(Cl)cc1Sc1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H19Cl2NS.ClH/c1-20(2)11-3-4-13-5-6-15(19)12-17(13)21-16-9-7-14(18)8-10-16;/h5-10,12H,3-4,11H2,1-2H3;1H
InChIKeyGBSYQULNTORLBG-UHFFFAOYSA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.78
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorprothixene
CID 667467
Chlorprothixene, (E)-
CID 667466
Chlorprothixene Hydrochloride
CID 5282478
3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine
CID 2729
trans-2-Chloro-9-(3-(dimethylamino)propylidene)thioxanthene, hydrochloride
CID 5702223
1-Propanamine, 3-(2-chloro-6-fluoro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride, (Z)-
CID 6446777
1-Propanamine, 3-(2-chloro-3-fluoro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride
CID 6446974
N-[3-(2-chloro-7-fluoro-9H-thioxanthen-9-ylidene)propyl]-N,N-dimethylamine
CID 20840395
Sdccgsbi-0050158.P002
CID 11957472
Benzenemethanamine, 2-[(4-chlorophenyl)thio]-N,N-dimethyl-
CID 15132120
(2-(3-chlorophenylthio)phenyl)-N,N-dimethylmethanamine
CID 15132121
C24H31BrClNS
CID 16682436

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride (CID 3048655) is 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCc1ccc(Cl)cc1Sc1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is GBSYQULNTORLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS.ClH/c1-20(2)11-3-4-13-5-6-15(19)12-17(13)21-16-9-7-14(18)8-10-16;/h5-10,12H,3-4,11H2,1-2H3;1H.
What are the key properties of 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 376.78 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3048655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).