6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde

C10H7ClOS — CID 118255758

IUPAC6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde
SMILESCc1c(C=O)sc2cc(Cl)ccc12
InChIInChI=1S/C10H7ClOS/c1-6-8-3-2-7(11)4-9(8)13-10(6)5-12/h2-5H,1H3
InChIKeyJYAPXTASAMXYJP-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.68
Rot. Bonds1

About 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde

6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde (PubChem CID 118255758) has the molecular formula C10H7ClOS and a molecular weight of 210.69 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde
PubChem CID118255758
Molecular FormulaC10H7ClOS
Molecular Weight210.69 g/mol
Exact Mass209.99
IUPAC Name6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde
SMILESCc1c(C=O)sc2cc(Cl)ccc12
InChIInChI=1S/C10H7ClOS/c1-6-8-3-2-7(11)4-9(8)13-10(6)5-12/h2-5H,1H3
InChIKeyJYAPXTASAMXYJP-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-methyl-1-benzothiophene-2-carbaldehyde
CID 58918001
3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde
CID 84743299
6-chloro-3-propan-2-yl-1-benzothiophene-2-carbaldehyde
CID 82374301
6-fluoro-5-methoxy-3-methyl-1-benzothiophene-2-carbaldehyde
CID 82374297
3-methyl-5-propyl-1-benzothiophene-2-carbaldehyde
CID 142207600
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
3-ethyl-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131078285
4,6-difluoro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 131432948
7-chloro-2-(4-methylphenyl)thiochromen-4-one
CID 135040043
5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde
CID 58387757
7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 82374290

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde (CID 118255758) is 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde is Cc1c(C=O)sc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde?
The InChIKey is JYAPXTASAMXYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS/c1-6-8-3-2-7(11)4-9(8)13-10(6)5-12/h2-5H,1H3.
What are the key properties of 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde?
6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde has a molecular weight of 210.69 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 118255758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).