3,5-dimethyl-1-benzothiophene

C10H10S — CID 2779875

IUPAC3,5-dimethyl-1-benzothiophene
SMILESCc1ccc2scc(C)c2c1
InChIInChI=1S/C10H10S/c1-7-3-4-10-9(5-7)8(2)6-11-10/h3-6H,1-2H3
InChIKeyUQJSHXYNNVEGMQ-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.52
Rot. Bonds

About 3,5-dimethyl-1-benzothiophene

3,5-dimethyl-1-benzothiophene (PubChem CID 2779875) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name3,5-dimethyl-1-benzothiophene
PubChem CID2779875
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name3,5-dimethyl-1-benzothiophene
SMILESCc1ccc2scc(C)c2c1
InChIInChI=1S/C10H10S/c1-7-3-4-10-9(5-7)8(2)6-11-10/h3-6H,1-2H3
InChIKeyUQJSHXYNNVEGMQ-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-benzothiophene?
The IUPAC name of 3,5-dimethyl-1-benzothiophene (CID 2779875) is 3,5-dimethyl-1-benzothiophene.
What is the SMILES notation for 3,5-dimethyl-1-benzothiophene?
The canonical SMILES for 3,5-dimethyl-1-benzothiophene is Cc1ccc2scc(C)c2c1.
What is the InChIKey of 3,5-dimethyl-1-benzothiophene?
The InChIKey is UQJSHXYNNVEGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-7-3-4-10-9(5-7)8(2)6-11-10/h3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-1-benzothiophene?
3,5-dimethyl-1-benzothiophene has a molecular weight of 162.26 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-benzothiophene is sourced from PubChem (CID 2779875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).