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

C7H13NOS2 — CID 21324742

IUPAC3-(3-methoxypropyl)-1,3-thiazolidine-2-thione
SMILESCOCCCN1CCSC1=S
InChIInChI=1S/C7H13NOS2/c1-9-5-2-3-8-4-6-11-7(8)10/h2-6H2,1H3
InChIKeyMPNGTIQUYQQUPO-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.36
Rot. Bonds4

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

3-(3-methoxypropyl)-1,3-thiazolidine-2-thione (PubChem CID 21324742) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1,3-thiazolidine-2-thione
PubChem CID21324742
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name3-(3-methoxypropyl)-1,3-thiazolidine-2-thione
SMILESCOCCCN1CCSC1=S
InChIInChI=1S/C7H13NOS2/c1-9-5-2-3-8-4-6-11-7(8)10/h2-6H2,1H3
InChIKeyMPNGTIQUYQQUPO-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione (CID 21324742) is 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione is COCCCN1CCSC1=S.
What is the InChIKey of 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione?
The InChIKey is MPNGTIQUYQQUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-9-5-2-3-8-4-6-11-7(8)10/h2-6H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione?
3-(3-methoxypropyl)-1,3-thiazolidine-2-thione has a molecular weight of 191.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).