2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene

C9H6FIS2 — CID 130913448

IUPAC2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(I)c2sc(F)cc2c1
InChIInChI=1S/C9H6FIS2/c1-12-6-2-5-3-8(10)13-9(5)7(11)4-6/h2-4H,1H3
InChIKeyBIEOSYWXJRLONA-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.37
Rot. Bonds1

About 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene

2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene (PubChem CID 130913448) has the molecular formula C9H6FIS2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene
PubChem CID130913448
Molecular FormulaC9H6FIS2
Molecular Weight324.18 g/mol
Exact Mass323.89
IUPAC Name2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(I)c2sc(F)cc2c1
InChIInChI=1S/C9H6FIS2/c1-12-6-2-5-3-8(10)13-9(5)7(11)4-6/h2-4H,1H3
InChIKeyBIEOSYWXJRLONA-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-diiodo-4-methylsulfanylphenyl)sulfanyl-1,3-diiodo-5-methylsulfanylbenzene
CID 139623462
2,5,7-trifluoro-1-benzothiophene
CID 130786065
4-iodo-3-methyl-6-methylsulfanyl-1-benzothiophene
CID 130821572
2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol
CID 131001451
2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene
CID 171367916
1-bromo-2-iodo-4-methylsulfanylbenzene
CID 91881156
2-iodo-4-methylsulfanylaniline
CID 19858575
2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
CID 131014208
2,4-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130941735
2-iodo-6-methylsulfanyl-1-benzothiophen-4-ol
CID 131014707
2,6-difluoro-5-methylsulfanyl-1-benzothiophene
CID 130969665

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene (CID 130913448) is 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene is CSc1cc(I)c2sc(F)cc2c1.
What is the InChIKey of 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene?
The InChIKey is BIEOSYWXJRLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIS2/c1-12-6-2-5-3-8(10)13-9(5)7(11)4-6/h2-4H,1H3.
What are the key properties of 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene?
2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene has a molecular weight of 324.18 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130913448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).