phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

C10H9NOS2 — CID 839954

IUPACphenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCSC1=S
InChIInChI=1S/C10H9NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-5H,6-7H2
InChIKeyNWKQMWLTQNBOHI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds1

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

phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (PubChem CID 839954) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
PubChem CID839954
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Namephenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCSC1=S
InChIInChI=1S/C10H9NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-5H,6-7H2
InChIKeyNWKQMWLTQNBOHI-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
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 phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (CID 839954) is phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is O=C(c1ccccc1)N1CCSC1=S.
What is the InChIKey of phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The InChIKey is NWKQMWLTQNBOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-5H,6-7H2.
What are the key properties of phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 839954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).