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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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).