4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene

C10H8BrFS2 — CID 130884289

IUPAC4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(CBr)c2ccsc2c1F
InChIInChI=1S/C10H8BrFS2/c1-13-8-4-6(5-11)7-2-3-14-10(7)9(8)12/h2-4H,5H2,1H3
InChIKeyGXBVHDRBSZILJI-UHFFFAOYSA-N
MW291.21 g/mol
LogP4.66
Rot. Bonds2

About 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene

4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene (PubChem CID 130884289) has the molecular formula C10H8BrFS2 and a molecular weight of 291.21 g/mol. Its IUPAC name is 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene
PubChem CID130884289
Molecular FormulaC10H8BrFS2
Molecular Weight291.21 g/mol
Exact Mass289.92
IUPAC Name4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(CBr)c2ccsc2c1F
InChIInChI=1S/C10H8BrFS2/c1-13-8-4-6(5-11)7-2-3-14-10(7)9(8)12/h2-4H,5H2,1H3
InChIKeyGXBVHDRBSZILJI-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-7-(bromomethyl)-4-methylsulfanyl-1-benzothiophene
CID 130951781
4-(bromomethyl)-6,7-diiodo-1-benzothiophene
CID 131169476
4-fluoro-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 131145532
7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
CID 130926327
4-(bromomethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 130792426
6-(bromomethyl)-4-fluoro-1-benzothiophene-7-thiol
CID 130805879
4-(bromomethyl)-6-chloro-1-benzothiophen-7-ol
CID 130839795
4-(bromomethyl)-2-methyl-7-methylsulfanyl-1-benzothiophene
CID 131096710
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
7-bromo-4-(bromomethyl)-1-benzothiophene-6-carbonitrile
CID 130969703
7-ethyl-4-iodo-6-methylsulfanyl-1-benzothiophene
CID 131196112
6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
CID 131053577

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene?
The IUPAC name of 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene (CID 130884289) is 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene is CSc1cc(CBr)c2ccsc2c1F.
What is the InChIKey of 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene?
The InChIKey is GXBVHDRBSZILJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFS2/c1-13-8-4-6(5-11)7-2-3-14-10(7)9(8)12/h2-4H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene?
4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene has a molecular weight of 291.21 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7-fluoro-6-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130884289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).