(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol

C9H7FOS2 — CID 131000562

IUPAC(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2c(S)csc2c1F
InChIInChI=1S/C9H7FOS2/c10-8-5(3-11)1-2-6-7(12)4-13-9(6)8/h1-2,4,11-12H,3H2
InChIKeyAAFFOMDJJFHFBS-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.82
Rot. Bonds1

About (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol

(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol (PubChem CID 131000562) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol
PubChem CID131000562
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2c(S)csc2c1F
InChIInChI=1S/C9H7FOS2/c10-8-5(3-11)1-2-6-7(12)4-13-9(6)8/h1-2,4,11-12H,3H2
InChIKeyAAFFOMDJJFHFBS-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-3-sulfanyl-1-benzothiophene-6-carboxylic acid
CID 131145525
(5-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131123423
(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130821395
(7-amino-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130955601
6-fluoro-3-sulfanyl-1-benzothiophene-7-carboxylic acid
CID 130827090
[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455
6-fluoro-3-sulfanyl-1-benzothiophene-7-carbonitrile
CID 130803922
7-chloro-3-sulfanyl-1-benzothiophen-6-ol
CID 131123887
2-(7-bromo-3-sulfanyl-1-benzothiophen-6-yl)acetonitrile
CID 130969968
(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
CID 131197619
2-(3,7-difluoro-1-benzothiophen-6-yl)acetonitrile
CID 131053864
(6-fluoro-1-benzothiophen-3-yl)methanol
CID 71649882

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol (CID 131000562) is (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol is OCc1ccc2c(S)csc2c1F.
What is the InChIKey of (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol?
The InChIKey is AAFFOMDJJFHFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c10-8-5(3-11)1-2-6-7(12)4-13-9(6)8/h1-2,4,11-12H,3H2.
What are the key properties of (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol?
(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol has a molecular weight of 214.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 131000562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).