6-methoxydibenzofuran-4-thiol

C13H10O2S — CID 23254072

IUPAC6-methoxydibenzofuran-4-thiol
SMILESCOc1cccc2c1oc1c(S)cccc12
InChIInChI=1S/C13H10O2S/c1-14-10-6-2-4-8-9-5-3-7-11(16)13(9)15-12(8)10/h2-7,16H,1H3
InChIKeySFAQQJFNXZRUGY-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.88
Rot. Bonds1

About 6-methoxydibenzofuran-4-thiol

6-methoxydibenzofuran-4-thiol (PubChem CID 23254072) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 6-methoxydibenzofuran-4-thiol.

Molecular Properties

Compound Name6-methoxydibenzofuran-4-thiol
PubChem CID23254072
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name6-methoxydibenzofuran-4-thiol
SMILESCOc1cccc2c1oc1c(S)cccc12
InChIInChI=1S/C13H10O2S/c1-14-10-6-2-4-8-9-5-3-7-11(16)13(9)15-12(8)10/h2-7,16H,1H3
InChIKeySFAQQJFNXZRUGY-UHFFFAOYSA-N
XLogP3.88
TPSA22.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.88
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

2,7-dimethoxy-3-methyl-1-benzofuran
CID 70144170
4,6-dimethoxydibenzofuran-2-carbaldehyde
CID 23559359
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
2-methoxybenzenethiol;sulfane
CID 141393821
1-(7-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281320
3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190
8-methoxybenzo[a]xanthen-12-one
CID 135193701
4-methoxybenzo[b]oxanthrene-6,11-dione
CID 14811969
3-fluoro-8-methoxy-4-methylchromen-2-one
CID 164597480
4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
CID 54690574
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077

Frequently Asked Questions

What is the IUPAC name of 6-methoxydibenzofuran-4-thiol?
The IUPAC name of 6-methoxydibenzofuran-4-thiol (CID 23254072) is 6-methoxydibenzofuran-4-thiol.
What is the SMILES notation for 6-methoxydibenzofuran-4-thiol?
The canonical SMILES for 6-methoxydibenzofuran-4-thiol is COc1cccc2c1oc1c(S)cccc12.
What is the InChIKey of 6-methoxydibenzofuran-4-thiol?
The InChIKey is SFAQQJFNXZRUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c1-14-10-6-2-4-8-9-5-3-7-11(16)13(9)15-12(8)10/h2-7,16H,1H3.
What are the key properties of 6-methoxydibenzofuran-4-thiol?
6-methoxydibenzofuran-4-thiol has a molecular weight of 230.29 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxydibenzofuran-4-thiol is sourced from PubChem (CID 23254072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).