6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione

C10H6FNS2 — CID 116532289

IUPAC6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione
SMILESFc1ccc2c(c1)Cc1sc(=S)[nH]c1-2
InChIInChI=1S/C10H6FNS2/c11-6-1-2-7-5(3-6)4-8-9(7)12-10(13)14-8/h1-3H,4H2,(H,12,13)
InChIKeyNZBZQFVKNGSZTD-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.52
Rot. Bonds

About 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione

6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione (PubChem CID 116532289) has the molecular formula C10H6FNS2 and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione.

Molecular Properties

Compound Name6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione
PubChem CID116532289
Molecular FormulaC10H6FNS2
Molecular Weight223.30 g/mol
Exact Mass222.99
IUPAC Name6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione
SMILESFc1ccc2c(c1)Cc1sc(=S)[nH]c1-2
InChIInChI=1S/C10H6FNS2/c11-6-1-2-7-5(3-6)4-8-9(7)12-10(13)14-8/h1-3H,4H2,(H,12,13)
InChIKeyNZBZQFVKNGSZTD-UHFFFAOYSA-N
XLogP3.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione?
The IUPAC name of 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione (CID 116532289) is 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione.
What is the SMILES notation for 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione?
The canonical SMILES for 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione is Fc1ccc2c(c1)Cc1sc(=S)[nH]c1-2.
What is the InChIKey of 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione?
The InChIKey is NZBZQFVKNGSZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNS2/c11-6-1-2-7-5(3-6)4-8-9(7)12-10(13)14-8/h1-3H,4H2,(H,12,13).
What are the key properties of 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione?
6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione has a molecular weight of 223.30 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione is sourced from PubChem (CID 116532289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).