3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione

C11H10FNS2 — CID 90343176

IUPAC3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(-c2ccccc2F)c1C
InChIInChI=1S/C11H10FNS2/c1-7-8(2)15-11(14)13(7)10-6-4-3-5-9(10)12/h3-6H,1-2H3
InChIKeyIEJHNEIUKPGPEO-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.02
Rot. Bonds1

About 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione

3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione (PubChem CID 90343176) has the molecular formula C11H10FNS2 and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
PubChem CID90343176
Molecular FormulaC11H10FNS2
Molecular Weight239.34 g/mol
Exact Mass239.02
IUPAC Name3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(-c2ccccc2F)c1C
InChIInChI=1S/C11H10FNS2/c1-7-8(2)15-11(14)13(7)10-6-4-3-5-9(10)12/h3-6H,1-2H3
InChIKeyIEJHNEIUKPGPEO-UHFFFAOYSA-N
XLogP4.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.02
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 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
The IUPAC name of 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione (CID 90343176) is 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione is Cc1sc(=S)n(-c2ccccc2F)c1C.
What is the InChIKey of 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
The InChIKey is IEJHNEIUKPGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS2/c1-7-8(2)15-11(14)13(7)10-6-4-3-5-9(10)12/h3-6H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione?
3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione has a molecular weight of 239.34 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione is sourced from PubChem (CID 90343176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).