6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol

C10H10OS3 — CID 130855311

IUPAC6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol
SMILESCOc1cc2sc(S)cc2cc1SC
InChIInChI=1S/C10H10OS3/c1-11-7-5-8-6(3-9(7)13-2)4-10(12)14-8/h3-5,12H,1-2H3
InChIKeyFTTBQXPTKGJVCW-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.92
Rot. Bonds2

About 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol

6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol (PubChem CID 130855311) has the molecular formula C10H10OS3 and a molecular weight of 242.39 g/mol. Its IUPAC name is 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol.

Molecular Properties

Compound Name6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol
PubChem CID130855311
Molecular FormulaC10H10OS3
Molecular Weight242.39 g/mol
Exact Mass241.99
IUPAC Name6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol
SMILESCOc1cc2sc(S)cc2cc1SC
InChIInChI=1S/C10H10OS3/c1-11-7-5-8-6(3-9(7)13-2)4-10(12)14-8/h3-5,12H,1-2H3
InChIKeyFTTBQXPTKGJVCW-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene
CID 157140153
(2S)-4-(5-methoxy-6-methylsulfanyl-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CID 134391994
(2S)-4-(5-methoxy-6-methylsulfanyl-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid;sulfane
CID 159895863
2,6-difluoro-5-methylsulfanyl-1-benzothiophene
CID 130969665
5-amino-6-ethoxy-1-benzothiophene-2-thiol
CID 131054042
5-fluoro-6-methoxy-2-methyl-1-benzothiophene
CID 131091519
CID 90399016
CID 90399016
3-methoxy-2-methylsulfanyl-6-phenylnaphthalene
CID 140625347
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
2,5-dimethoxy-4-methylsulfanylbenzonitrile
CID 117298733
5-methoxy-6-methylsulfanyl-1,3-benzodioxole
CID 123594562

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol?
The IUPAC name of 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol (CID 130855311) is 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol.
What is the SMILES notation for 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol?
The canonical SMILES for 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol is COc1cc2sc(S)cc2cc1SC.
What is the InChIKey of 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol?
The InChIKey is FTTBQXPTKGJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS3/c1-11-7-5-8-6(3-9(7)13-2)4-10(12)14-8/h3-5,12H,1-2H3.
What are the key properties of 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol?
6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol has a molecular weight of 242.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methylsulfanyl-1-benzothiophene-2-thiol is sourced from PubChem (CID 130855311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).