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

C10H8FNOS2 — CID 839955

IUPAC(2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccccc1F)N1CCSC1=S
InChIInChI=1S/C10H8FNOS2/c11-8-4-2-1-3-7(8)9(13)12-5-6-15-10(12)14/h1-4H,5-6H2
InChIKeyYNZADQOZXVTAQG-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.30
Rot. Bonds1

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

(2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (PubChem CID 839955) has the molecular formula C10H8FNOS2 and a molecular weight of 241.31 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
PubChem CID839955
Molecular FormulaC10H8FNOS2
Molecular Weight241.31 g/mol
Exact Mass241.00
IUPAC Name(2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccccc1F)N1CCSC1=S
InChIInChI=1S/C10H8FNOS2/c11-8-4-2-1-3-7(8)9(13)12-5-6-15-10(12)14/h1-4H,5-6H2
InChIKeyYNZADQOZXVTAQG-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
3-Ethyl-5-benzoylrhodanine
CID 2853709
2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate
CID 754254
3-(4-Methylbenzoyl)-1,3-thiazolidine-2-thione
CID 783805
3-Benzoylthiazolidine-2-thione
CID 839954
2-Pyrrolidinone, 1-(4-fluorobenzoyl)-
CID 790873
N,N-Diethyl-2,5-difluorobenzamide
CID 5044848
[2-(Ethylsulfanyl)phenyl](pyrrolidin-1-yl)methanone
CID 970663
(1-benzoyl-2-oxoazepan-3-yl) N,N-diethylcarbamodithioate
CID 3507022
(2,3-Difluorophenyl)(pyrrolidin-1-yl)methanone
CID 588093
N-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethyl]benzenecarboximidic acid
CID 268689

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone (CID 839955) is (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is O=C(c1ccccc1F)N1CCSC1=S.
What is the InChIKey of (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
The InChIKey is YNZADQOZXVTAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS2/c11-8-4-2-1-3-7(8)9(13)12-5-6-15-10(12)14/h1-4H,5-6H2.
What are the key properties of (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone?
(2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone has a molecular weight of 241.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 839955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).