5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene

C10H9FS2 — CID 130821327

IUPAC5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2c(C)c(F)ccc2s1
InChIInChI=1S/C10H9FS2/c1-6-7-5-10(12-2)13-9(7)4-3-8(6)11/h3-5H,1-2H3
InChIKeyHNLPIHPWPHWBFB-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.07
Rot. Bonds1

About 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene

5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene (PubChem CID 130821327) has the molecular formula C10H9FS2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
PubChem CID130821327
Molecular FormulaC10H9FS2
Molecular Weight212.31 g/mol
Exact Mass212.01
IUPAC Name5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2c(C)c(F)ccc2s1
InChIInChI=1S/C10H9FS2/c1-6-7-5-10(12-2)13-9(7)4-3-8(6)11/h3-5H,1-2H3
InChIKeyHNLPIHPWPHWBFB-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821281
4-bromo-5-chloro-2-methylsulfanyl-1-benzothiophene
CID 131145934
5-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131218628
4-bromo-7-fluoro-2-methylsulfanyl-1-benzothiophene
CID 131091429
5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene-4-thiol
CID 131146672
6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131001321
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
1,4-difluoro-2-methyl-3-methylsulfanylbenzene
CID 131075154
(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131197439
6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
CID 130898870
2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130788515

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
The IUPAC name of 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene (CID 130821327) is 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene is CSc1cc2c(C)c(F)ccc2s1.
What is the InChIKey of 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
The InChIKey is HNLPIHPWPHWBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS2/c1-6-7-5-10(12-2)13-9(7)4-3-8(6)11/h3-5H,1-2H3.
What are the key properties of 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene has a molecular weight of 212.31 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130821327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).