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

C10H9FOS2 — CID 130827118

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

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

(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 130827118) has the molecular formula C10H9FOS2 and a molecular weight of 228.31 g/mol. Its IUPAC name is (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID130827118
Molecular FormulaC10H9FOS2
Molecular Weight228.31 g/mol
Exact Mass228.01
IUPAC Name(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1ccc2sc(CO)c(F)c2c1
InChIInChI=1S/C10H9FOS2/c1-13-6-2-3-8-7(4-6)10(11)9(5-12)14-8/h2-4,12H,5H2,1H3
InChIKeyLYUQBLRZJCGTGJ-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-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131197439
(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 131124486
2-hydroxy-5-methylsulfanyl-1-benzothiophene-3-carbonitrile
CID 130884457
2-(bromomethyl)-3,5-difluoro-1-benzothiophene
CID 131223463
2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 130914616
(4-fluoro-2-iodo-1-benzothiophen-5-yl)methanol
CID 130870905
2-ethyl-3-fluoro-1-benzothiophene-5-carbaldehyde
CID 130970968
5-methylsulfanyl-3-sulfanyl-1-benzothiophene-2-carbonitrile
CID 130951863
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
CID 130898901
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol (CID 130827118) is (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol is CSc1ccc2sc(CO)c(F)c2c1.
What is the InChIKey of (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is LYUQBLRZJCGTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS2/c1-13-6-2-3-8-7(4-6)10(11)9(5-12)14-8/h2-4,12H,5H2,1H3.
What are the key properties of (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol?
(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-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 (3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130827118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).