(4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

C11H11NOS2 — CID 783805

IUPAC(4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2=S)cc1
InChIInChI=1S/C11H11NOS2/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14/h2-5H,6-7H2,1H3
InChIKeyKXWQVHWLUHGXAV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.47
Rot. Bonds1

About (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

(4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (PubChem CID 783805) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
PubChem CID783805
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name(4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESCc1ccc(C(=O)N2CCSC2=S)cc1
InChIInChI=1S/C11H11NOS2/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14/h2-5H,6-7H2,1H3
InChIKeyKXWQVHWLUHGXAV-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (CID 783805) is (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is Cc1ccc(C(=O)N2CCSC2=S)cc1.
What is the InChIKey of (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The InChIKey is KXWQVHWLUHGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-8-2-4-9(5-3-8)10(13)12-6-7-15-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
(4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone has a molecular weight of 237.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 783805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).