3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene

C9H6BrFS2 — CID 131075795

IUPAC3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cccc2c(Br)c(F)sc12
InChIInChI=1S/C9H6BrFS2/c1-12-6-4-2-3-5-7(10)9(11)13-8(5)6/h2-4H,1H3
InChIKeyBTOXANDOLPVLFU-UHFFFAOYSA-N
MW277.18 g/mol
LogP4.52
Rot. Bonds1

About 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene

3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene (PubChem CID 131075795) has the molecular formula C9H6BrFS2 and a molecular weight of 277.18 g/mol. Its IUPAC name is 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
PubChem CID131075795
Molecular FormulaC9H6BrFS2
Molecular Weight277.18 g/mol
Exact Mass275.91
IUPAC Name3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cccc2c(Br)c(F)sc12
InChIInChI=1S/C9H6BrFS2/c1-12-6-4-2-3-5-7(10)9(11)13-8(5)6/h2-4H,1H3
InChIKeyBTOXANDOLPVLFU-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene
CID 130941940
(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol
CID 130805667
2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
CID 131075805
2-bromo-3-(chloromethyl)-7-methylsulfanyl-1-benzothiophene
CID 130839246
2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene
CID 130793101
3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene
CID 131034319
4-bromo-5-methylsulfanyl-1-benzothiophene-7-thiol
CID 131033759
4-bromo-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 130839750
2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol
CID 130942183
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
5-methylsulfanylnaphthalen-1-ol
CID 130033866
4-bromo-2-(bromomethyl)-7-methylsulfanyl-1-benzothiophene
CID 130971896

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene?
The IUPAC name of 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene (CID 131075795) is 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene is CSc1cccc2c(Br)c(F)sc12.
What is the InChIKey of 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene?
The InChIKey is BTOXANDOLPVLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFS2/c1-12-6-4-2-3-5-7(10)9(11)13-8(5)6/h2-4H,1H3.
What are the key properties of 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene?
3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene has a molecular weight of 277.18 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131075795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).