3,4-dimethyl-2,3-dihydro-1-benzothiophene

C10H12S — CID 23165633

IUPAC3,4-dimethyl-2,3-dihydro-1-benzothiophene
SMILESCc1cccc2c1C(C)CS2
InChIInChI=1S/C10H12S/c1-7-4-3-5-9-10(7)8(2)6-11-9/h3-5,8H,6H2,1-2H3
InChIKeyPTLFLUJXFMDSJO-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.20
Rot. Bonds

About 3,4-dimethyl-2,3-dihydro-1-benzothiophene

3,4-dimethyl-2,3-dihydro-1-benzothiophene (PubChem CID 23165633) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3,4-dimethyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name3,4-dimethyl-2,3-dihydro-1-benzothiophene
PubChem CID23165633
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3,4-dimethyl-2,3-dihydro-1-benzothiophene
SMILESCc1cccc2c1C(C)CS2
InChIInChI=1S/C10H12S/c1-7-4-3-5-9-10(7)8(2)6-11-9/h3-5,8H,6H2,1-2H3
InChIKeyPTLFLUJXFMDSJO-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of 3,4-dimethyl-2,3-dihydro-1-benzothiophene (CID 23165633) is 3,4-dimethyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 3,4-dimethyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 3,4-dimethyl-2,3-dihydro-1-benzothiophene is Cc1cccc2c1C(C)CS2.
What is the InChIKey of 3,4-dimethyl-2,3-dihydro-1-benzothiophene?
The InChIKey is PTLFLUJXFMDSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-7-4-3-5-9-10(7)8(2)6-11-9/h3-5,8H,6H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,3-dihydro-1-benzothiophene?
3,4-dimethyl-2,3-dihydro-1-benzothiophene has a molecular weight of 164.27 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 23165633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).