7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol

C10H10OS2 — CID 130789001

IUPAC7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol
SMILESCSc1ccc(C)c2sc(O)cc12
InChIInChI=1S/C10H10OS2/c1-6-3-4-8(12-2)7-5-9(11)13-10(6)7/h3-5,11H,1-2H3
InChIKeyAZIXQWJOEAIKNM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.64
Rot. Bonds1

About 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol

7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol (PubChem CID 130789001) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol
PubChem CID130789001
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol
SMILESCSc1ccc(C)c2sc(O)cc12
InChIInChI=1S/C10H10OS2/c1-6-3-4-8(12-2)7-5-9(11)13-10(6)7/h3-5,11H,1-2H3
InChIKeyAZIXQWJOEAIKNM-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol?
The IUPAC name of 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol (CID 130789001) is 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol.
What is the SMILES notation for 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol?
The canonical SMILES for 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol is CSc1ccc(C)c2sc(O)cc12.
What is the InChIKey of 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol?
The InChIKey is AZIXQWJOEAIKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6-3-4-8(12-2)7-5-9(11)13-10(6)7/h3-5,11H,1-2H3.
What are the key properties of 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol?
7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol has a molecular weight of 210.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol is sourced from PubChem (CID 130789001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).