2-ethylsulfanyl-5-phenylaniline

C14H15NS — CID 68787727

IUPAC2-ethylsulfanyl-5-phenylaniline
SMILESCCSc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C14H15NS/c1-2-16-14-9-8-12(10-13(14)15)11-6-4-3-5-7-11/h3-10H,2,15H2,1H3
InChIKeyIQNPMBWTFUUPSF-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.05
Rot. Bonds3

About 2-ethylsulfanyl-5-phenylaniline

2-ethylsulfanyl-5-phenylaniline (PubChem CID 68787727) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-phenylaniline.

Molecular Properties

Compound Name2-ethylsulfanyl-5-phenylaniline
PubChem CID68787727
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-ethylsulfanyl-5-phenylaniline
SMILESCCSc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C14H15NS/c1-2-16-14-9-8-12(10-13(14)15)11-6-4-3-5-7-11/h3-10H,2,15H2,1H3
InChIKeyIQNPMBWTFUUPSF-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.05
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-ethylsulfanylaniline;hydrochloride
CID 17381710
ethane;4-(2-ethylsulfanylphenyl)aniline
CID 142086543
5-phenyl-2-propylaniline
CID 165495824
2-(2-amino-4-phenylphenyl)sulfanylbenzoic acid
CID 22145435
2-ethylsulfanyl-5-ethynylaniline
CID 118042785
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
4-(2-ethylsulfanylphenyl)-2-methyl-1-methylsulfanylbenzene
CID 173185086
2-(4-aminophenyl)-3-ethylsulfanylaniline
CID 68788773
2-chloro-3-ethylsulfanyl-5-phenylpyridine
CID 146231750
2-[[4-[3-[4-[(2-aminophenyl)sulfanylmethyl]phenyl]phenyl]phenyl]methylsulfanyl]aniline
CID 71425347
5-(3-aminophenyl)-2-methylsulfanylaniline
CID 68789628
1-bromo-4-(2-ethylsulfanylphenyl)benzene
CID 67283557

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-phenylaniline?
The IUPAC name of 2-ethylsulfanyl-5-phenylaniline (CID 68787727) is 2-ethylsulfanyl-5-phenylaniline.
What is the SMILES notation for 2-ethylsulfanyl-5-phenylaniline?
The canonical SMILES for 2-ethylsulfanyl-5-phenylaniline is CCSc1ccc(-c2ccccc2)cc1N.
What is the InChIKey of 2-ethylsulfanyl-5-phenylaniline?
The InChIKey is IQNPMBWTFUUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-16-14-9-8-12(10-13(14)15)11-6-4-3-5-7-11/h3-10H,2,15H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-phenylaniline?
2-ethylsulfanyl-5-phenylaniline has a molecular weight of 229.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-phenylaniline is sourced from PubChem (CID 68787727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).