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

C10H9FS2 — CID 130971332

IUPAC3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1sc2cccc(C)c2c1F
InChIInChI=1S/C10H9FS2/c1-6-4-3-5-7-8(6)9(11)10(12-2)13-7/h3-5H,1-2H3
InChIKeyVWORGQBMBQLQCU-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.07
Rot. Bonds1

About 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene

3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene (PubChem CID 130971332) has the molecular formula C10H9FS2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
PubChem CID130971332
Molecular FormulaC10H9FS2
Molecular Weight212.31 g/mol
Exact Mass212.01
IUPAC Name3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1sc2cccc(C)c2c1F
InChIInChI=1S/C10H9FS2/c1-6-4-3-5-7-8(6)9(11)10(12-2)13-7/h3-5H,1-2H3
InChIKeyVWORGQBMBQLQCU-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-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131196586
1-methyldibenzothiophene
CID 23839
3-bromo-4-(bromomethyl)-2-methylsulfanyl-1-benzothiophene
CID 131146096
3-chloro-2,4-dimethyl-1-benzothiophene;ethane
CID 143520176
(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130816502
3-amino-2-methylsulfanyl-1-benzothiophene-4-carbonitrile
CID 130898218
3-(difluoromethyl)-2-iodo-4-methyl-1-benzothiophene
CID 131060261
2,8-dimethylthieno[3,2-b][1]benzothiole
CID 155307998
1,9-bis[(2-methylphenyl)sulfanyl]dibenzothiophene
CID 15195497
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
3-ethenyl-2,4-dimethyl-1-benzothiophene
CID 145447214
9-methyl-[1]benzothiolo[3,2-b]pyridine
CID 118243263

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
The IUPAC name of 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene (CID 130971332) is 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene is CSc1sc2cccc(C)c2c1F.
What is the InChIKey of 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
The InChIKey is VWORGQBMBQLQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS2/c1-6-4-3-5-7-8(6)9(11)10(12-2)13-7/h3-5H,1-2H3.
What are the key properties of 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene?
3-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 3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130971332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).