2,6-difluoro-5-methylsulfanyl-1-benzothiophene

C9H6F2S2 — CID 130969665

IUPAC2,6-difluoro-5-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2cc(F)sc2cc1F
InChIInChI=1S/C9H6F2S2/c1-12-8-2-5-3-9(11)13-7(5)4-6(8)10/h2-4H,1H3
InChIKeyPZOXZEUDDBEUKC-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.90
Rot. Bonds1

About 2,6-difluoro-5-methylsulfanyl-1-benzothiophene

2,6-difluoro-5-methylsulfanyl-1-benzothiophene (PubChem CID 130969665) has the molecular formula C9H6F2S2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,6-difluoro-5-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2,6-difluoro-5-methylsulfanyl-1-benzothiophene
PubChem CID130969665
Molecular FormulaC9H6F2S2
Molecular Weight216.28 g/mol
Exact Mass215.99
IUPAC Name2,6-difluoro-5-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2cc(F)sc2cc1F
InChIInChI=1S/C9H6F2S2/c1-12-8-2-5-3-9(11)13-7(5)4-6(8)10/h2-4H,1H3
InChIKeyPZOXZEUDDBEUKC-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-5-fluoro-6-methylsulfanyl-1-benzothiophene
CID 130985198
6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol
CID 130855311
5-bromo-2-fluoro-6-methyl-1-benzothiophene
CID 131075792
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 170275070
6-fluoro-5-methoxy-2-methyl-1-benzothiophene
CID 90429351
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-6-amine
CID 130884983
2-bromo-5,6-difluoro-1-benzothiophene
CID 130866221
2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene
CID 139623503
2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid
CID 130839072
2-fluoro-5-methylthieno[3,2-b]pyridine
CID 15290719
5-bromo-2-fluoro-1-benzothiophene
CID 70982915

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-5-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2,6-difluoro-5-methylsulfanyl-1-benzothiophene (CID 130969665) is 2,6-difluoro-5-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2,6-difluoro-5-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2,6-difluoro-5-methylsulfanyl-1-benzothiophene is CSc1cc2cc(F)sc2cc1F.
What is the InChIKey of 2,6-difluoro-5-methylsulfanyl-1-benzothiophene?
The InChIKey is PZOXZEUDDBEUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2S2/c1-12-8-2-5-3-9(11)13-7(5)4-6(8)10/h2-4H,1H3.
What are the key properties of 2,6-difluoro-5-methylsulfanyl-1-benzothiophene?
2,6-difluoro-5-methylsulfanyl-1-benzothiophene has a molecular weight of 216.28 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-5-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130969665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).