6-fluoro-2,3-dihydrothionine

C8H9FS — CID 91360454

IUPAC6-fluoro-2,3-dihydrothionine
SMILESFC1=CC=CSCCC=C1
InChIInChI=1S/C8H9FS/c9-8-4-1-2-6-10-7-3-5-8/h1,3-5,7H,2,6H2
InChIKeyMTVSWWAURLMRGX-UHFFFAOYSA-N
MW156.22 g/mol
LogP3.05
Rot. Bonds

About 6-fluoro-2,3-dihydrothionine

6-fluoro-2,3-dihydrothionine (PubChem CID 91360454) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydrothionine.

Molecular Properties

Compound Name6-fluoro-2,3-dihydrothionine
PubChem CID91360454
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name6-fluoro-2,3-dihydrothionine
SMILESFC1=CC=CSCCC=C1
InChIInChI=1S/C8H9FS/c9-8-4-1-2-6-10-7-3-5-8/h1,3-5,7H,2,6H2
InChIKeyMTVSWWAURLMRGX-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydrothiepine
CID 640540
1-(Fluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17802282
(Z)-1-fluoro-5-methylsulfanylpent-2-ene
CID 89423732
5-Fluorohexa-1,3-dienyl(trimethyl)-lambda4-sulfane
CID 123645797
(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
CID 138465199
2-Fluoro-5-methylsulfanylcyclohepta-1,3,5-triene
CID 142105265
1-Fluoro-5-methylsulfanylcyclohepta-1,3,5-triene
CID 143284627
(3Z)-2-ethylsulfanyl-5-fluorohexa-1,3-diene
CID 155152751
(3Z)-2-(2-fluoropropylsulfanyl)hexa-1,3-diene
CID 155180434
(3Z)-2-(1-fluoroethenylsulfanyl)hexa-1,3-diene
CID 174343425
1-Ethylthio-1,3-hexadiene
CID 85939659
(1Z,3E)-1-ethylsulfanylhexa-1,3-diene
CID 134981032

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydrothionine?
The IUPAC name of 6-fluoro-2,3-dihydrothionine (CID 91360454) is 6-fluoro-2,3-dihydrothionine.
What is the SMILES notation for 6-fluoro-2,3-dihydrothionine?
The canonical SMILES for 6-fluoro-2,3-dihydrothionine is FC1=CC=CSCCC=C1.
What is the InChIKey of 6-fluoro-2,3-dihydrothionine?
The InChIKey is MTVSWWAURLMRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c9-8-4-1-2-6-10-7-3-5-8/h1,3-5,7H,2,6H2.
What are the key properties of 6-fluoro-2,3-dihydrothionine?
6-fluoro-2,3-dihydrothionine has a molecular weight of 156.22 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydrothionine is sourced from PubChem (CID 91360454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).