4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione

C12H12F2N2OS2 — CID 175502296

IUPAC4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione
SMILESFc1cccc(OC(F)CSCc2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C12H12F2N2OS2/c13-8-2-1-3-10(4-8)17-11(14)7-19-6-9-5-15-12(18)16-9/h1-5,11H,6-7H2,(H2,15,16,18)
InChIKeyMCGMDVZNSFXFRF-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.82
Rot. Bonds6

About 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione

4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione (PubChem CID 175502296) has the molecular formula C12H12F2N2OS2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione
PubChem CID175502296
Molecular FormulaC12H12F2N2OS2
Molecular Weight302.37 g/mol
Exact Mass302.04
IUPAC Name4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione
SMILESFc1cccc(OC(F)CSCc2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C12H12F2N2OS2/c13-8-2-1-3-10(4-8)17-11(14)7-19-6-9-5-15-12(18)16-9/h1-5,11H,6-7H2,(H2,15,16,18)
InChIKeyMCGMDVZNSFXFRF-UHFFFAOYSA-N
XLogP3.82
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione with MolForge

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Related Compounds

4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one
CID 175502426
5-[[3-(3-fluorophenoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 10806165
1,3-bis(1-fluoropropoxy)benzene
CID 22027155
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
(2S)-2-(3-fluorophenoxy)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 97022485
4-(3-fluorophenoxy)pentanehydrazide
CID 63575496
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione (CID 175502296) is 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione is Fc1cccc(OC(F)CSCc2c[nH]c(=S)[nH]2)c1.
What is the InChIKey of 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is MCGMDVZNSFXFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS2/c13-8-2-1-3-10(4-8)17-11(14)7-19-6-9-5-15-12(18)16-9/h1-5,11H,6-7H2,(H2,15,16,18).
What are the key properties of 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione?
4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 302.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 175502296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).