(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol

C10H9FOS2 — CID 131124486

IUPAC(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1ccc2sc(F)c(CO)c2c1
InChIInChI=1S/C10H9FOS2/c1-13-6-2-3-9-7(4-6)8(5-12)10(11)14-9/h2-4,12H,5H2,1H3
InChIKeyGGZFYZZATLPYCI-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.25
Rot. Bonds2

About (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol

(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol (PubChem CID 131124486) has the molecular formula C10H9FOS2 and a molecular weight of 228.31 g/mol. Its IUPAC name is (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
PubChem CID131124486
Molecular FormulaC10H9FOS2
Molecular Weight228.31 g/mol
Exact Mass228.01
IUPAC Name(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1ccc2sc(F)c(CO)c2c1
InChIInChI=1S/C10H9FOS2/c1-13-6-2-3-9-7(4-6)8(5-12)10(11)14-9/h2-4,12H,5H2,1H3
InChIKeyGGZFYZZATLPYCI-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130827118
(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131197439
2-hydroxy-5-methylsulfanyl-1-benzothiophene-3-carbonitrile
CID 130884457
3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
CID 130951803
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
CID 130951760
(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol
CID 131031157
5-methylsulfanyl-3-sulfanyl-1-benzothiophene-2-carbonitrile
CID 130951863
6-methylsulfanyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130941211
[2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 131001332
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642
[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol (CID 131124486) is (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol is CSc1ccc2sc(F)c(CO)c2c1.
What is the InChIKey of (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The InChIKey is GGZFYZZATLPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS2/c1-13-6-2-3-9-7(4-6)8(5-12)10(11)14-9/h2-4,12H,5H2,1H3.
What are the key properties of (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol?
(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol has a molecular weight of 228.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 131124486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).