(2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone

C8H7NOS3 — CID 4750170

IUPAC(2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCSC1=S
InChIInChI=1S/C8H7NOS3/c10-7(6-2-1-4-12-6)9-3-5-13-8(9)11/h1-2,4H,3,5H2
InChIKeyZSGVXCMEPFZSKZ-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.22
Rot. Bonds1

About (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone

(2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone (PubChem CID 4750170) has the molecular formula C8H7NOS3 and a molecular weight of 229.35 g/mol. Its IUPAC name is (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
PubChem CID4750170
Molecular FormulaC8H7NOS3
Molecular Weight229.35 g/mol
Exact Mass228.97
IUPAC Name(2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCSC1=S
InChIInChI=1S/C8H7NOS3/c10-7(6-2-1-4-12-6)9-3-5-13-8(9)11/h1-2,4H,3,5H2
InChIKeyZSGVXCMEPFZSKZ-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone (CID 4750170) is (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCSC1=S.
What is the InChIKey of (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone?
The InChIKey is ZSGVXCMEPFZSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS3/c10-7(6-2-1-4-12-6)9-3-5-13-8(9)11/h1-2,4H,3,5H2.
What are the key properties of (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone?
(2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone has a molecular weight of 229.35 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylidene-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 4750170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).