2-[2-(4-chlorophenyl)ethylsulfanyl]aniline

C14H14ClNS — CID 101473757

IUPAC2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
SMILESNc1ccccc1SCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNS/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h1-8H,9-10,16H2
InChIKeyOPKRAHTYRDXQTM-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.26
Rot. Bonds4

About 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline

2-[2-(4-chlorophenyl)ethylsulfanyl]aniline (PubChem CID 101473757) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
PubChem CID101473757
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
SMILESNc1ccccc1SCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNS/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h1-8H,9-10,16H2
InChIKeyOPKRAHTYRDXQTM-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.26
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-(4-phenylbutylsulfanyl)aniline
CID 114333786
2-(2-phenylethylsulfanyl)phenol
CID 10823369
2-(3-chloropropylsulfanyl)aniline;hydrochloride
CID 142778993
4-chloro-2-(2-thiophen-3-ylethylsulfanyl)aniline
CID 79528136
ethane;2-propylsulfanylaniline
CID 143337712
2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
2-[2-(2-aminoethoxy)ethylsulfanyl]aniline
CID 103482660
1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
CID 162413618
1-bromo-4-[2-(4-chlorophenyl)ethylsulfanyl]benzene
CID 164673435
2-[(4-chlorophenyl)methylsulfanylmethyl]aniline
CID 115597560

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline (CID 101473757) is 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline is Nc1ccccc1SCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline?
The InChIKey is OPKRAHTYRDXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h1-8H,9-10,16H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline?
2-[2-(4-chlorophenyl)ethylsulfanyl]aniline has a molecular weight of 263.79 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylsulfanyl]aniline is sourced from PubChem (CID 101473757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).