2,3-dimethyl-1-benzothiophene

C10H10S — CID 640773

IUPAC2,3-dimethyl-1-benzothiophene
SMILESCc1sc2ccccc2c1C
InChIInChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3
InChIKeyACHMHHCOSAKQSS-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.52
Rot. Bonds

About 2,3-dimethyl-1-benzothiophene

2,3-dimethyl-1-benzothiophene (PubChem CID 640773) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name2,3-dimethyl-1-benzothiophene
PubChem CID640773
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name2,3-dimethyl-1-benzothiophene
SMILESCc1sc2ccccc2c1C
InChIInChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3
InChIKeyACHMHHCOSAKQSS-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 2,3-dimethyl-1-benzothiophene?
The IUPAC name of 2,3-dimethyl-1-benzothiophene (CID 640773) is 2,3-dimethyl-1-benzothiophene.
What is the SMILES notation for 2,3-dimethyl-1-benzothiophene?
The canonical SMILES for 2,3-dimethyl-1-benzothiophene is Cc1sc2ccccc2c1C.
What is the InChIKey of 2,3-dimethyl-1-benzothiophene?
The InChIKey is ACHMHHCOSAKQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3.
What are the key properties of 2,3-dimethyl-1-benzothiophene?
2,3-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 2,3-dimethyl-1-benzothiophene is sourced from PubChem (CID 640773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).