3-(3-butylsulfanylpropyl)-1,3-thiazolidine

C10H21NS2 — CID 3038843

IUPAC3-(3-butylsulfanylpropyl)-1,3-thiazolidine
SMILESCCCCSCCCN1CCSC1
InChIInChI=1S/C10H21NS2/c1-2-3-7-12-8-4-5-11-6-9-13-10-11/h2-10H2,1H3
InChIKeySKBLXRQRJMRFNC-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.92
Rot. Bonds7

About 3-(3-butylsulfanylpropyl)-1,3-thiazolidine

3-(3-butylsulfanylpropyl)-1,3-thiazolidine (PubChem CID 3038843) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 3-(3-butylsulfanylpropyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3-butylsulfanylpropyl)-1,3-thiazolidine
PubChem CID3038843
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name3-(3-butylsulfanylpropyl)-1,3-thiazolidine
SMILESCCCCSCCCN1CCSC1
InChIInChI=1S/C10H21NS2/c1-2-3-7-12-8-4-5-11-6-9-13-10-11/h2-10H2,1H3
InChIKeySKBLXRQRJMRFNC-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.92
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-(3-butylsulfanylpropyl)-1,3-thiazolidine?
The IUPAC name of 3-(3-butylsulfanylpropyl)-1,3-thiazolidine (CID 3038843) is 3-(3-butylsulfanylpropyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3-butylsulfanylpropyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3-butylsulfanylpropyl)-1,3-thiazolidine is CCCCSCCCN1CCSC1.
What is the InChIKey of 3-(3-butylsulfanylpropyl)-1,3-thiazolidine?
The InChIKey is SKBLXRQRJMRFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-2-3-7-12-8-4-5-11-6-9-13-10-11/h2-10H2,1H3.
What are the key properties of 3-(3-butylsulfanylpropyl)-1,3-thiazolidine?
3-(3-butylsulfanylpropyl)-1,3-thiazolidine has a molecular weight of 219.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylsulfanylpropyl)-1,3-thiazolidine is sourced from PubChem (CID 3038843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).