3,5-bis(ethylsulfanyl)aniline

C10H15NS2 — CID 10846271

IUPAC3,5-bis(ethylsulfanyl)aniline
SMILESCCSc1cc(N)cc(SCC)c1
InChIInChI=1S/C10H15NS2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4,11H2,1-2H3
InChIKeyROIQUEJDHUZJSZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.49
Rot. Bonds4

About 3,5-bis(ethylsulfanyl)aniline

3,5-bis(ethylsulfanyl)aniline (PubChem CID 10846271) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3,5-bis(ethylsulfanyl)aniline.

Molecular Properties

Compound Name3,5-bis(ethylsulfanyl)aniline
PubChem CID10846271
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name3,5-bis(ethylsulfanyl)aniline
SMILESCCSc1cc(N)cc(SCC)c1
InChIInChI=1S/C10H15NS2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4,11H2,1-2H3
InChIKeyROIQUEJDHUZJSZ-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethylsulfanyl)aniline?
The IUPAC name of 3,5-bis(ethylsulfanyl)aniline (CID 10846271) is 3,5-bis(ethylsulfanyl)aniline.
What is the SMILES notation for 3,5-bis(ethylsulfanyl)aniline?
The canonical SMILES for 3,5-bis(ethylsulfanyl)aniline is CCSc1cc(N)cc(SCC)c1.
What is the InChIKey of 3,5-bis(ethylsulfanyl)aniline?
The InChIKey is ROIQUEJDHUZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 3,5-bis(ethylsulfanyl)aniline?
3,5-bis(ethylsulfanyl)aniline has a molecular weight of 213.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethylsulfanyl)aniline is sourced from PubChem (CID 10846271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).