3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride

C11H24ClNS2 — CID 3038866

IUPAC3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C11H23NS2.ClH/c1-2-13-9-6-4-3-5-7-12-8-10-14-11-12;/h2-11H2,1H3;1H
InChIKeyQVHKJIKPKSDFFH-UHFFFAOYSA-N
MW269.91 g/mol
LogP3.73
Rot. Bonds8

About 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride

3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038866) has the molecular formula C11H24ClNS2 and a molecular weight of 269.91 g/mol. Its IUPAC name is 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038866
Molecular FormulaC11H24ClNS2
Molecular Weight269.91 g/mol
Exact Mass269.10
IUPAC Name3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C11H23NS2.ClH/c1-2-13-9-6-4-3-5-7-12-8-10-14-11-12;/h2-11H2,1H3;1H
InChIKeyQVHKJIKPKSDFFH-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.91
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (CID 3038866) is 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is CCSCCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is QVHKJIKPKSDFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2.ClH/c1-2-13-9-6-4-3-5-7-12-8-10-14-11-12;/h2-11H2,1H3;1H.
What are the key properties of 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 269.91 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).