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

C12H26ClNS2 — CID 3038868

IUPAC3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C12H25NS2.ClH/c1-2-9-14-10-6-4-3-5-7-13-8-11-15-12-13;/h2-12H2,1H3;1H
InChIKeyDUOSTAZRNKWZKT-UHFFFAOYSA-N
MW283.93 g/mol
LogP4.12
Rot. Bonds9

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

3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (PubChem CID 3038868) has the molecular formula C12H26ClNS2 and a molecular weight of 283.93 g/mol. Its IUPAC name is 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
PubChem CID3038868
Molecular FormulaC12H26ClNS2
Molecular Weight283.93 g/mol
Exact Mass283.12
IUPAC Name3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride
SMILESCCCSCCCCCCN1CCSC1.Cl
InChIInChI=1S/C12H25NS2.ClH/c1-2-9-14-10-6-4-3-5-7-13-8-11-15-12-13;/h2-12H2,1H3;1H
InChIKeyDUOSTAZRNKWZKT-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.93
LogP ≤ 54.12
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-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride (CID 3038868) is 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is CCCSCCCCCCN1CCSC1.Cl.
What is the InChIKey of 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is DUOSTAZRNKWZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS2.ClH/c1-2-9-14-10-6-4-3-5-7-13-8-11-15-12-13;/h2-12H2,1H3;1H.
What are the key properties of 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride?
3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 283.93 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propylsulfanylhexyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).