(3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol

C9H7FOS2 — CID 131000550

IUPAC(3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESOCc1cc(S)cc2scc(F)c12
InChIInChI=1S/C9H7FOS2/c10-7-4-13-8-2-6(12)1-5(3-11)9(7)8/h1-2,4,11-12H,3H2
InChIKeyFQSAGXVOEDNEDX-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.82
Rot. Bonds1

About (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol

(3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol (PubChem CID 131000550) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol
PubChem CID131000550
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name(3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESOCc1cc(S)cc2scc(F)c12
InChIInChI=1S/C9H7FOS2/c10-7-4-13-8-2-6(12)1-5(3-11)9(7)8/h1-2,4,11-12H,3H2
InChIKeyFQSAGXVOEDNEDX-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

(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol
CID 130805825
(6-methylsulfanyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131057348
(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130961954
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
3-fluoro-6-methoxy-1-benzothiophene-4-thiol
CID 131122789
(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
CID 130884325
(6-fluoro-1-benzothiophen-3-yl)methanol
CID 71649882
3-fluoro-4,6-dimethyl-1-benzothiophene
CID 130956380
(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130955447
5-ethoxy-3-fluoro-1-benzothiophene-4-thiol
CID 130792743
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol (CID 131000550) is (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol is OCc1cc(S)cc2scc(F)c12.
What is the InChIKey of (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol?
The InChIKey is FQSAGXVOEDNEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c10-7-4-13-8-2-6(12)1-5(3-11)9(7)8/h1-2,4,11-12H,3H2.
What are the key properties of (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol?
(3-fluoro-6-sulfanyl-1-benzothiophen-4-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 (3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 131000550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).