6-methoxy-7-methyl-1-benzothiophene-5-thiol

C10H10OS2 — CID 130944023

IUPAC6-methoxy-7-methyl-1-benzothiophene-5-thiol
SMILESCOc1c(S)cc2ccsc2c1C
InChIInChI=1S/C10H10OS2/c1-6-9(11-2)8(12)5-7-3-4-13-10(6)7/h3-5,12H,1-2H3
InChIKeyRDPAINSTYPTMFX-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.51
Rot. Bonds1

About 6-methoxy-7-methyl-1-benzothiophene-5-thiol

6-methoxy-7-methyl-1-benzothiophene-5-thiol (PubChem CID 130944023) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-methoxy-7-methyl-1-benzothiophene-5-thiol.

Molecular Properties

Compound Name6-methoxy-7-methyl-1-benzothiophene-5-thiol
PubChem CID130944023
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name6-methoxy-7-methyl-1-benzothiophene-5-thiol
SMILESCOc1c(S)cc2ccsc2c1C
InChIInChI=1S/C10H10OS2/c1-6-9(11-2)8(12)5-7-3-4-13-10(6)7/h3-5,12H,1-2H3
InChIKeyRDPAINSTYPTMFX-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-1-benzothiophene-5-thiol?
The IUPAC name of 6-methoxy-7-methyl-1-benzothiophene-5-thiol (CID 130944023) is 6-methoxy-7-methyl-1-benzothiophene-5-thiol.
What is the SMILES notation for 6-methoxy-7-methyl-1-benzothiophene-5-thiol?
The canonical SMILES for 6-methoxy-7-methyl-1-benzothiophene-5-thiol is COc1c(S)cc2ccsc2c1C.
What is the InChIKey of 6-methoxy-7-methyl-1-benzothiophene-5-thiol?
The InChIKey is RDPAINSTYPTMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6-9(11-2)8(12)5-7-3-4-13-10(6)7/h3-5,12H,1-2H3.
What are the key properties of 6-methoxy-7-methyl-1-benzothiophene-5-thiol?
6-methoxy-7-methyl-1-benzothiophene-5-thiol has a molecular weight of 210.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-1-benzothiophene-5-thiol is sourced from PubChem (CID 130944023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).