6-methyl-1-benzothiophene-3-carbaldehyde

C10H8OS — CID 82374207

IUPAC6-methyl-1-benzothiophene-3-carbaldehyde
SMILESCc1ccc2c(C=O)csc2c1
InChIInChI=1S/C10H8OS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h2-6H,1H3
InChIKeyTYNXOMXBGQGNLS-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.02
Rot. Bonds1

About 6-methyl-1-benzothiophene-3-carbaldehyde

6-methyl-1-benzothiophene-3-carbaldehyde (PubChem CID 82374207) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 6-methyl-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-1-benzothiophene-3-carbaldehyde
PubChem CID82374207
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name6-methyl-1-benzothiophene-3-carbaldehyde
SMILESCc1ccc2c(C=O)csc2c1
InChIInChI=1S/C10H8OS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h2-6H,1H3
InChIKeyTYNXOMXBGQGNLS-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-6-methyl-1-benzothiophene
CID 142026591
thieno[2,3-c]pyridine-3-carbaldehyde
CID 82374226
6-methyl-1-benzothiophene-3-sulfonyl chloride
CID 116646210
4-amino-6-methyl-1-benzothiophene-3-carbaldehyde
CID 130820817
1-(6-methyl-1-benzothiophen-3-yl)propan-1-one
CID 20738609
N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
CID 117185619
3,8-dimethyldibenzothiophene-1-carbaldehyde
CID 135053414
5-amino-6-iodo-1-benzothiophene-3-carbaldehyde
CID 130816591
5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde
CID 130840079
methyl 2-(6-methyl-1-benzothiophen-3-yl)acetate
CID 58828756
6-bromo-7-methyl-1-benzothiophene-3-carbaldehyde
CID 620689
6-chloro-5-iodo-1-benzothiophene-3-carbaldehyde
CID 130914419

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 6-methyl-1-benzothiophene-3-carbaldehyde (CID 82374207) is 6-methyl-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 6-methyl-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 6-methyl-1-benzothiophene-3-carbaldehyde is Cc1ccc2c(C=O)csc2c1.
What is the InChIKey of 6-methyl-1-benzothiophene-3-carbaldehyde?
The InChIKey is TYNXOMXBGQGNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h2-6H,1H3.
What are the key properties of 6-methyl-1-benzothiophene-3-carbaldehyde?
6-methyl-1-benzothiophene-3-carbaldehyde has a molecular weight of 176.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 82374207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).