2-[butyl(2-sulfanylethyl)amino]ethanethiol

C8H19NS2 — CID 15911424

IUPAC2-[butyl(2-sulfanylethyl)amino]ethanethiol
SMILESCCCCN(CCS)CCS
InChIInChI=1S/C8H19NS2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
InChIKeyCFNCLXXXPPXBJP-UHFFFAOYSA-N
MW193.38 g/mol
LogP1.95
Rot. Bonds7

About 2-[butyl(2-sulfanylethyl)amino]ethanethiol

2-[butyl(2-sulfanylethyl)amino]ethanethiol (PubChem CID 15911424) has the molecular formula C8H19NS2 and a molecular weight of 193.38 g/mol. Its IUPAC name is 2-[butyl(2-sulfanylethyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[butyl(2-sulfanylethyl)amino]ethanethiol
PubChem CID15911424
Molecular FormulaC8H19NS2
Molecular Weight193.38 g/mol
Exact Mass193.10
IUPAC Name2-[butyl(2-sulfanylethyl)amino]ethanethiol
SMILESCCCCN(CCS)CCS
InChIInChI=1S/C8H19NS2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
InChIKeyCFNCLXXXPPXBJP-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-sulfanylethyl)amino]ethanethiol?
The IUPAC name of 2-[butyl(2-sulfanylethyl)amino]ethanethiol (CID 15911424) is 2-[butyl(2-sulfanylethyl)amino]ethanethiol.
What is the SMILES notation for 2-[butyl(2-sulfanylethyl)amino]ethanethiol?
The canonical SMILES for 2-[butyl(2-sulfanylethyl)amino]ethanethiol is CCCCN(CCS)CCS.
What is the InChIKey of 2-[butyl(2-sulfanylethyl)amino]ethanethiol?
The InChIKey is CFNCLXXXPPXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3.
What are the key properties of 2-[butyl(2-sulfanylethyl)amino]ethanethiol?
2-[butyl(2-sulfanylethyl)amino]ethanethiol has a molecular weight of 193.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-sulfanylethyl)amino]ethanethiol is sourced from PubChem (CID 15911424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).