(7-fluoro-1-benzofuran-2-yl)methanethiol

C9H7FOS — CID 117182886

IUPAC(7-fluoro-1-benzofuran-2-yl)methanethiol
SMILESFc1cccc2cc(CS)oc12
InChIInChI=1S/C9H7FOS/c10-8-3-1-2-6-4-7(5-12)11-9(6)8/h1-4,12H,5H2
InChIKeyZWFAPRUUAFUDIQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.00
Rot. Bonds1

About (7-fluoro-1-benzofuran-2-yl)methanethiol

(7-fluoro-1-benzofuran-2-yl)methanethiol (PubChem CID 117182886) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)methanethiol.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)methanethiol
PubChem CID117182886
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name(7-fluoro-1-benzofuran-2-yl)methanethiol
SMILESFc1cccc2cc(CS)oc12
InChIInChI=1S/C9H7FOS/c10-8-3-1-2-6-4-7(5-12)11-9(6)8/h1-4,12H,5H2
InChIKeyZWFAPRUUAFUDIQ-UHFFFAOYSA-N
XLogP3.00
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
CID 114732770
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
7-fluoro-2-prop-2-enyl-1-benzofuran
CID 114735883
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine
CID 114733096
N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine
CID 114733328
1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114733174
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)methanethiol?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)methanethiol (CID 117182886) is (7-fluoro-1-benzofuran-2-yl)methanethiol.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)methanethiol?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)methanethiol is Fc1cccc2cc(CS)oc12.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)methanethiol?
The InChIKey is ZWFAPRUUAFUDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c10-8-3-1-2-6-4-7(5-12)11-9(6)8/h1-4,12H,5H2.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)methanethiol?
(7-fluoro-1-benzofuran-2-yl)methanethiol has a molecular weight of 182.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)methanethiol is sourced from PubChem (CID 117182886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).