2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline

C15H10Cl3NS2 — CID 43773694

IUPAC2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
SMILESClc1cc(Cl)c(NC(c2cccs2)c2cccs2)c(Cl)c1
InChIInChI=1S/C15H10Cl3NS2/c16-9-7-10(17)14(11(18)8-9)19-15(12-3-1-5-20-12)13-4-2-6-21-13/h1-8,15,19H
InChIKeyKOSNZVZXYORTMU-UHFFFAOYSA-N
MW374.75 g/mol
LogP6.97
Rot. Bonds4

About 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline

2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline (PubChem CID 43773694) has the molecular formula C15H10Cl3NS2 and a molecular weight of 374.75 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
PubChem CID43773694
Molecular FormulaC15H10Cl3NS2
Molecular Weight374.75 g/mol
Exact Mass372.93
IUPAC Name2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
SMILESClc1cc(Cl)c(NC(c2cccs2)c2cccs2)c(Cl)c1
InChIInChI=1S/C15H10Cl3NS2/c16-9-7-10(17)14(11(18)8-9)19-15(12-3-1-5-20-12)13-4-2-6-21-13/h1-8,15,19H
InChIKeyKOSNZVZXYORTMU-UHFFFAOYSA-N
XLogP6.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
CID 66253055
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
CID 75512507
2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
CID 43788805
2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
CID 43774020
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
4-chloro-2-(dithiophen-2-ylmethylamino)benzonitrile
CID 43780568
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004
4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
CID 83167393
1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 107945175
4-(dithiophen-2-ylmethylamino)-2,5-dimethylphenol
CID 106953646

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline (CID 43773694) is 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline is Clc1cc(Cl)c(NC(c2cccs2)c2cccs2)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline?
The InChIKey is KOSNZVZXYORTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NS2/c16-9-7-10(17)14(11(18)8-9)19-15(12-3-1-5-20-12)13-4-2-6-21-13/h1-8,15,19H.
What are the key properties of 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline?
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline has a molecular weight of 374.75 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43773694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).