1,3-thiazolidin-2-yl carbamodithioate

C4H8N2S3 — CID 174694956

IUPAC1,3-thiazolidin-2-yl carbamodithioate
SMILESNC(=S)SC1NCCS1
InChIInChI=1S/C4H8N2S3/c5-3(7)9-4-6-1-2-8-4/h4,6H,1-2H2,(H2,5,7)
InChIKeyGBZARRVAAIYRME-UHFFFAOYSA-N
MW180.32 g/mol
LogP0.58
Rot. Bonds1

About 1,3-thiazolidin-2-yl carbamodithioate

1,3-thiazolidin-2-yl carbamodithioate (PubChem CID 174694956) has the molecular formula C4H8N2S3 and a molecular weight of 180.32 g/mol. Its IUPAC name is 1,3-thiazolidin-2-yl carbamodithioate.

Molecular Properties

Compound Name1,3-thiazolidin-2-yl carbamodithioate
PubChem CID174694956
Molecular FormulaC4H8N2S3
Molecular Weight180.32 g/mol
Exact Mass179.98
IUPAC Name1,3-thiazolidin-2-yl carbamodithioate
SMILESNC(=S)SC1NCCS1
InChIInChI=1S/C4H8N2S3/c5-3(7)9-4-6-1-2-8-4/h4,6H,1-2H2,(H2,5,7)
InChIKeyGBZARRVAAIYRME-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,3-thiazolidin-2-yl carbamodithioate?
The IUPAC name of 1,3-thiazolidin-2-yl carbamodithioate (CID 174694956) is 1,3-thiazolidin-2-yl carbamodithioate.
What is the SMILES notation for 1,3-thiazolidin-2-yl carbamodithioate?
The canonical SMILES for 1,3-thiazolidin-2-yl carbamodithioate is NC(=S)SC1NCCS1.
What is the InChIKey of 1,3-thiazolidin-2-yl carbamodithioate?
The InChIKey is GBZARRVAAIYRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S3/c5-3(7)9-4-6-1-2-8-4/h4,6H,1-2H2,(H2,5,7).
What are the key properties of 1,3-thiazolidin-2-yl carbamodithioate?
1,3-thiazolidin-2-yl carbamodithioate has a molecular weight of 180.32 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-2-yl carbamodithioate is sourced from PubChem (CID 174694956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).