4-(sulfanylmethyl)-1,3-thiazolidin-2-one

C4H7NOS2 — CID 146168840

IUPAC4-(sulfanylmethyl)-1,3-thiazolidin-2-one
SMILESO=C1NC(CS)CS1
InChIInChI=1S/C4H7NOS2/c6-4-5-3(1-7)2-8-4/h3,7H,1-2H2,(H,5,6)
InChIKeyOBQRBLSMKRMHLR-UHFFFAOYSA-N
MW149.24 g/mol
LogP0.74
Rot. Bonds1

About 4-(sulfanylmethyl)-1,3-thiazolidin-2-one

4-(sulfanylmethyl)-1,3-thiazolidin-2-one (PubChem CID 146168840) has the molecular formula C4H7NOS2 and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-(sulfanylmethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(sulfanylmethyl)-1,3-thiazolidin-2-one
PubChem CID146168840
Molecular FormulaC4H7NOS2
Molecular Weight149.24 g/mol
Exact Mass149.00
IUPAC Name4-(sulfanylmethyl)-1,3-thiazolidin-2-one
SMILESO=C1NC(CS)CS1
InChIInChI=1S/C4H7NOS2/c6-4-5-3(1-7)2-8-4/h3,7H,1-2H2,(H,5,6)
InChIKeyOBQRBLSMKRMHLR-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfanylmethyl)-1,3-thiazolidin-2-one?
The IUPAC name of 4-(sulfanylmethyl)-1,3-thiazolidin-2-one (CID 146168840) is 4-(sulfanylmethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(sulfanylmethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(sulfanylmethyl)-1,3-thiazolidin-2-one is O=C1NC(CS)CS1.
What is the InChIKey of 4-(sulfanylmethyl)-1,3-thiazolidin-2-one?
The InChIKey is OBQRBLSMKRMHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS2/c6-4-5-3(1-7)2-8-4/h3,7H,1-2H2,(H,5,6).
What are the key properties of 4-(sulfanylmethyl)-1,3-thiazolidin-2-one?
4-(sulfanylmethyl)-1,3-thiazolidin-2-one has a molecular weight of 149.24 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfanylmethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 146168840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).