2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline

C12H7Cl4NS — CID 54505726

IUPAC2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline
SMILESNc1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H7Cl4NS/c13-6-1-3-9(7(14)5-6)18-10-4-2-8(17)11(15)12(10)16/h1-5H,17H2
InChIKeyYFOGQOJGFZQERZ-UHFFFAOYSA-N
MW339.07 g/mol
LogP6.03
Rot. Bonds2

About 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline

2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline (PubChem CID 54505726) has the molecular formula C12H7Cl4NS and a molecular weight of 339.07 g/mol. Its IUPAC name is 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline.

Molecular Properties

Compound Name2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline
PubChem CID54505726
Molecular FormulaC12H7Cl4NS
Molecular Weight339.07 g/mol
Exact Mass336.91
IUPAC Name2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline
SMILESNc1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H7Cl4NS/c13-6-1-3-9(7(14)5-6)18-10-4-2-8(17)11(15)12(10)16/h1-5H,17H2
InChIKeyYFOGQOJGFZQERZ-UHFFFAOYSA-N
XLogP6.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.07
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene
CID 70143774
2,4-dichloroaniline;molecular nitrogen
CID 69010854
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
3-chloro-4-(4-chloro-2-methylphenyl)sulfanylaniline
CID 10221452
2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 70116015
2-(2,5-dichlorophenyl)sulfanyl-5-iodoaniline
CID 66082358
3-chloro-4-(4-chloro-2-sulfanylphenyl)sulfanylbenzenethiol
CID 21272503
3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
CID 22073365
5-(2,4-dichlorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-amine
CID 121215661
(1S)-1-[3-chloro-4-(2,5-dichlorophenyl)sulfanylphenyl]ethanamine
CID 78944427
2,4-dichloro-1-(4-nitrophenyl)sulfanylbenzene
CID 91876619
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline?
The IUPAC name of 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline (CID 54505726) is 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline.
What is the SMILES notation for 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline?
The canonical SMILES for 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline is Nc1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline?
The InChIKey is YFOGQOJGFZQERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NS/c13-6-1-3-9(7(14)5-6)18-10-4-2-8(17)11(15)12(10)16/h1-5H,17H2.
What are the key properties of 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline?
2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline has a molecular weight of 339.07 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(2,4-dichlorophenyl)sulfanylaniline is sourced from PubChem (CID 54505726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).