5-chloro-2-ethylsulfanylaniline;hydrochloride

C8H11Cl2NS — CID 17381710

IUPAC5-chloro-2-ethylsulfanylaniline;hydrochloride
SMILESCCSc1ccc(Cl)cc1N.Cl
InChIInChI=1S/C8H10ClNS.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5H,2,10H2,1H3;1H
InChIKeyXGKFCRFZVDOTOG-UHFFFAOYSA-N
MW224.16 g/mol
LogP3.46
Rot. Bonds2

About 5-chloro-2-ethylsulfanylaniline;hydrochloride

5-chloro-2-ethylsulfanylaniline;hydrochloride (PubChem CID 17381710) has the molecular formula C8H11Cl2NS and a molecular weight of 224.16 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfanylaniline;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-ethylsulfanylaniline;hydrochloride
PubChem CID17381710
Molecular FormulaC8H11Cl2NS
Molecular Weight224.16 g/mol
Exact Mass223.00
IUPAC Name5-chloro-2-ethylsulfanylaniline;hydrochloride
SMILESCCSc1ccc(Cl)cc1N.Cl
InChIInChI=1S/C8H10ClNS.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5H,2,10H2,1H3;1H
InChIKeyXGKFCRFZVDOTOG-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 53.46
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

5-chloro-2-nonylsulfanylaniline
CID 43129563
5-chloro-2-(2,2-dimethoxyethylsulfanyl)aniline
CID 81093778
2-[(2-aminophenyl)methylsulfanyl]-5-chloroaniline
CID 130412250
5-chloro-2-[3-(methylamino)propylsulfanyl]aniline
CID 106318307
ethyl 3-(2-amino-4-chlorophenyl)sulfanylpropanoate
CID 61319245
3-(2-amino-4-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 61319859
5-chloro-2-[(3,4-dimethylphenyl)methylsulfanyl]aniline
CID 54977783
1-(2-amino-4-chlorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63930928
4-(2-amino-4-chlorophenyl)sulfanyl-2,2-dimethylbutanenitrile
CID 65253182
2-[(2-bromo-4-chlorophenyl)methylsulfanyl]-5-chloroaniline
CID 125464567
5-chloro-2-(4-ethylphenyl)sulfanylaniline
CID 91877108
2-ethylsulfanyl-5-ethynylaniline
CID 118042785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfanylaniline;hydrochloride?
The IUPAC name of 5-chloro-2-ethylsulfanylaniline;hydrochloride (CID 17381710) is 5-chloro-2-ethylsulfanylaniline;hydrochloride.
What is the SMILES notation for 5-chloro-2-ethylsulfanylaniline;hydrochloride?
The canonical SMILES for 5-chloro-2-ethylsulfanylaniline;hydrochloride is CCSc1ccc(Cl)cc1N.Cl.
What is the InChIKey of 5-chloro-2-ethylsulfanylaniline;hydrochloride?
The InChIKey is XGKFCRFZVDOTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5H,2,10H2,1H3;1H.
What are the key properties of 5-chloro-2-ethylsulfanylaniline;hydrochloride?
5-chloro-2-ethylsulfanylaniline;hydrochloride has a molecular weight of 224.16 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfanylaniline;hydrochloride is sourced from PubChem (CID 17381710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).