3-propanimidoyl-1,3-thiazolidine-2-thione

C6H10N2S2 — CID 123281835

IUPAC3-propanimidoyl-1,3-thiazolidine-2-thione
SMILES[H]/N=C(\CC)N1CCSC1=S
InChIInChI=1S/C6H10N2S2/c1-2-5(7)8-3-4-10-6(8)9/h7H,2-4H2,1H3/b7-5+
InChIKeyPDEBCBODJXAMJJ-FNORWQNLSA-N
MW174.29 g/mol
LogP1.71
Rot. Bonds1

About 3-propanimidoyl-1,3-thiazolidine-2-thione

3-propanimidoyl-1,3-thiazolidine-2-thione (PubChem CID 123281835) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-propanimidoyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-propanimidoyl-1,3-thiazolidine-2-thione
PubChem CID123281835
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name3-propanimidoyl-1,3-thiazolidine-2-thione
SMILES[H]/N=C(\CC)N1CCSC1=S
InChIInChI=1S/C6H10N2S2/c1-2-5(7)8-3-4-10-6(8)9/h7H,2-4H2,1H3/b7-5+
InChIKeyPDEBCBODJXAMJJ-FNORWQNLSA-N
XLogP1.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propanimidoyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3-propanimidoyl-1,3-thiazolidine-2-thione (CID 123281835) is 3-propanimidoyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-propanimidoyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-propanimidoyl-1,3-thiazolidine-2-thione is [H]/N=C(\CC)N1CCSC1=S.
What is the InChIKey of 3-propanimidoyl-1,3-thiazolidine-2-thione?
The InChIKey is PDEBCBODJXAMJJ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-2-5(7)8-3-4-10-6(8)9/h7H,2-4H2,1H3/b7-5+.
What are the key properties of 3-propanimidoyl-1,3-thiazolidine-2-thione?
3-propanimidoyl-1,3-thiazolidine-2-thione has a molecular weight of 174.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanimidoyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 123281835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).