3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione

C6H11NOS2 — CID 21324770

IUPAC3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione
SMILESOCCCN1CCSC1=S
InChIInChI=1S/C6H11NOS2/c8-4-1-2-7-3-5-10-6(7)9/h8H,1-5H2
InChIKeyRPMYXQDVDOTCEX-UHFFFAOYSA-N
MW177.29 g/mol
LogP0.70
Rot. Bonds3

About 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione

3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione (PubChem CID 21324770) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione
PubChem CID21324770
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Name3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione
SMILESOCCCN1CCSC1=S
InChIInChI=1S/C6H11NOS2/c8-4-1-2-7-3-5-10-6(7)9/h8H,1-5H2
InChIKeyRPMYXQDVDOTCEX-UHFFFAOYSA-N
XLogP0.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione (CID 21324770) is 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione is OCCCN1CCSC1=S.
What is the InChIKey of 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione?
The InChIKey is RPMYXQDVDOTCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c8-4-1-2-7-3-5-10-6(7)9/h8H,1-5H2.
What are the key properties of 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione?
3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione has a molecular weight of 177.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).