2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline

C15H11Cl2NS2 — CID 43757202

IUPAC2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NC(c2cccs2)c2cccs2)c1
InChIInChI=1S/C15H11Cl2NS2/c16-10-5-6-11(17)12(9-10)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H
InChIKeyJKYXASFXXBQJFJ-UHFFFAOYSA-N
MW340.30 g/mol
LogP6.32
Rot. Bonds4

About 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline

2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline (PubChem CID 43757202) has the molecular formula C15H11Cl2NS2 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
PubChem CID43757202
Molecular FormulaC15H11Cl2NS2
Molecular Weight340.30 g/mol
Exact Mass338.97
IUPAC Name2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NC(c2cccs2)c2cccs2)c1
InChIInChI=1S/C15H11Cl2NS2/c16-10-5-6-11(17)12(9-10)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H
InChIKeyJKYXASFXXBQJFJ-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.30
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(dithiophen-2-ylmethylamino)benzonitrile
CID 43780568
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
CID 43788805
4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
CID 83167393
2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
CID 43774020
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364
N-(2,5-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051761
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43775963
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
CID 75512507
2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 81270186
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline?
The IUPAC name of 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline (CID 43757202) is 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline is Clc1ccc(Cl)c(NC(c2cccs2)c2cccs2)c1.
What is the InChIKey of 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline?
The InChIKey is JKYXASFXXBQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NS2/c16-10-5-6-11(17)12(9-10)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H.
What are the key properties of 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline?
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline has a molecular weight of 340.30 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43757202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).