5-chloro-2-nonylsulfanylaniline

C15H24ClNS — CID 43129563

IUPAC5-chloro-2-nonylsulfanylaniline
SMILESCCCCCCCCCSc1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClNS/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12H,2-8,11,17H2,1H3
InChIKeyBDRBSXFXLORSGY-UHFFFAOYSA-N
MW285.88 g/mol
LogP5.76
Rot. Bonds9

About 5-chloro-2-nonylsulfanylaniline

5-chloro-2-nonylsulfanylaniline (PubChem CID 43129563) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 5-chloro-2-nonylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-nonylsulfanylaniline
PubChem CID43129563
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name5-chloro-2-nonylsulfanylaniline
SMILESCCCCCCCCCSc1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClNS/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12H,2-8,11,17H2,1H3
InChIKeyBDRBSXFXLORSGY-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.88
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-decylsulfanylaniline
CID 55222801
5-bromo-2-octylsulfanylaniline
CID 43306029
5-chloro-2-[3-(methylamino)propylsulfanyl]aniline
CID 106318307
5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
5-chloro-2-(4-phenylbutylsulfanyl)aniline
CID 114333786
5-chloro-2-pentylsulfanylbenzonitrile
CID 107749272
2-pentylsulfanyl-5-(trifluoromethyl)aniline
CID 43134930
5-methylsulfonyl-2-pentylsulfanylaniline
CID 107747722
3-amino-4-pentylsulfanylbenzamide
CID 107747782
1,4-dichloro-2,5-bis(heptylsulfanyl)benzene
CID 71322457
2-(2-butylsulfanyl-5-chlorophenyl)ethanamine
CID 114866234
1,2-bis(tricosylsulfanyl)benzene
CID 91011021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nonylsulfanylaniline?
The IUPAC name of 5-chloro-2-nonylsulfanylaniline (CID 43129563) is 5-chloro-2-nonylsulfanylaniline.
What is the SMILES notation for 5-chloro-2-nonylsulfanylaniline?
The canonical SMILES for 5-chloro-2-nonylsulfanylaniline is CCCCCCCCCSc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-nonylsulfanylaniline?
The InChIKey is BDRBSXFXLORSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12H,2-8,11,17H2,1H3.
What are the key properties of 5-chloro-2-nonylsulfanylaniline?
5-chloro-2-nonylsulfanylaniline has a molecular weight of 285.88 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nonylsulfanylaniline is sourced from PubChem (CID 43129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).