6-methoxy-2,3-dihydro-1-benzofuran-7-thiol

C9H10O2S — CID 168942495

IUPAC6-methoxy-2,3-dihydro-1-benzofuran-7-thiol
SMILESCOc1ccc2c(c1S)OCC2
InChIInChI=1S/C9H10O2S/c1-10-7-3-2-6-4-5-11-8(6)9(7)12/h2-3,12H,4-5H2,1H3
InChIKeyKLHIISUXNLMAHF-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.92
Rot. Bonds1

About 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol

6-methoxy-2,3-dihydro-1-benzofuran-7-thiol (PubChem CID 168942495) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol.

Molecular Properties

Compound Name6-methoxy-2,3-dihydro-1-benzofuran-7-thiol
PubChem CID168942495
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name6-methoxy-2,3-dihydro-1-benzofuran-7-thiol
SMILESCOc1ccc2c(c1S)OCC2
InChIInChI=1S/C9H10O2S/c1-10-7-3-2-6-4-5-11-8(6)9(7)12/h2-3,12H,4-5H2,1H3
InChIKeyKLHIISUXNLMAHF-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-6-methoxy-2,3-dihydro-1-benzofuran
CID 84692337
5-methoxy-2,3-dihydrobenzo[g][1]benzofuran
CID 102108713
4-methoxy-2,3-dihydro-1-benzofuran-7-amine
CID 82373059
2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 22403480
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol
CID 162092836
10-methoxy-3-methyl-5,6-dihydrothieno[3,4-a][3]benzoxepin-9-amine
CID 175426655
1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117284527

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol?
The IUPAC name of 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol (CID 168942495) is 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol.
What is the SMILES notation for 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol?
The canonical SMILES for 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol is COc1ccc2c(c1S)OCC2.
What is the InChIKey of 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol?
The InChIKey is KLHIISUXNLMAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-10-7-3-2-6-4-5-11-8(6)9(7)12/h2-3,12H,4-5H2,1H3.
What are the key properties of 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol?
6-methoxy-2,3-dihydro-1-benzofuran-7-thiol has a molecular weight of 182.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydro-1-benzofuran-7-thiol is sourced from PubChem (CID 168942495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).