1,3-thiazolidine-3-carbodithioic acid

C4H7NS3 — CID 15407655

IUPAC1,3-thiazolidine-3-carbodithioic acid
SMILESS=C(S)N1CCSC1
InChIInChI=1S/C4H7NS3/c6-4(7)5-1-2-8-3-5/h1-3H2,(H,6,7)
InChIKeyLPJNWRLYZZXWSS-UHFFFAOYSA-N
MW165.31 g/mol
LogP1.21
Rot. Bonds

About 1,3-thiazolidine-3-carbodithioic acid

1,3-thiazolidine-3-carbodithioic acid (PubChem CID 15407655) has the molecular formula C4H7NS3 and a molecular weight of 165.31 g/mol. Its IUPAC name is 1,3-thiazolidine-3-carbodithioic acid.

Molecular Properties

Compound Name1,3-thiazolidine-3-carbodithioic acid
PubChem CID15407655
Molecular FormulaC4H7NS3
Molecular Weight165.31 g/mol
Exact Mass164.97
IUPAC Name1,3-thiazolidine-3-carbodithioic acid
SMILESS=C(S)N1CCSC1
InChIInChI=1S/C4H7NS3/c6-4(7)5-1-2-8-3-5/h1-3H2,(H,6,7)
InChIKeyLPJNWRLYZZXWSS-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidine-3-carbodithioic acid?
The IUPAC name of 1,3-thiazolidine-3-carbodithioic acid (CID 15407655) is 1,3-thiazolidine-3-carbodithioic acid.
What is the SMILES notation for 1,3-thiazolidine-3-carbodithioic acid?
The canonical SMILES for 1,3-thiazolidine-3-carbodithioic acid is S=C(S)N1CCSC1.
What is the InChIKey of 1,3-thiazolidine-3-carbodithioic acid?
The InChIKey is LPJNWRLYZZXWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS3/c6-4(7)5-1-2-8-3-5/h1-3H2,(H,6,7).
What are the key properties of 1,3-thiazolidine-3-carbodithioic acid?
1,3-thiazolidine-3-carbodithioic acid has a molecular weight of 165.31 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidine-3-carbodithioic acid is sourced from PubChem (CID 15407655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).