2-amino-6-methyl-1-benzothiophene-5-carbaldehyde

C10H9NOS — CID 131218553

IUPAC2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
SMILESCc1cc2sc(N)cc2cc1C=O
InChIInChI=1S/C10H9NOS/c1-6-2-9-7(3-8(6)5-12)4-10(11)13-9/h2-5H,11H2,1H3
InChIKeyIECGXVFRSDMEQY-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.60
Rot. Bonds1

About 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde

2-amino-6-methyl-1-benzothiophene-5-carbaldehyde (PubChem CID 131218553) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
PubChem CID131218553
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
SMILESCc1cc2sc(N)cc2cc1C=O
InChIInChI=1S/C10H9NOS/c1-6-2-9-7(3-8(6)5-12)4-10(11)13-9/h2-5H,11H2,1H3
InChIKeyIECGXVFRSDMEQY-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-methyl-1-benzothiophen-2-amine
CID 130805490
16-methyl-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-amine
CID 138592675
5-(hydroxymethyl)-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131196044
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
2-amino-4-iodo-1-benzothiophene-5-carbaldehyde
CID 130985270
5-aminothieno[2,3-b]thiophene-3-carbaldehyde
CID 133057843
5-amino-3-ethylthiophene-2-carbaldehyde
CID 96589959
6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde
CID 130866141
2,7-dimethylquinoline-6-carbaldehyde
CID 166070019
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261
1-benzothiophene-2,5-diamine
CID 89101949
1-benzothiophen-2-amine;hydrochloride
CID 66906726

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde (CID 131218553) is 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde is Cc1cc2sc(N)cc2cc1C=O.
What is the InChIKey of 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde?
The InChIKey is IECGXVFRSDMEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-6-2-9-7(3-8(6)5-12)4-10(11)13-9/h2-5H,11H2,1H3.
What are the key properties of 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde?
2-amino-6-methyl-1-benzothiophene-5-carbaldehyde has a molecular weight of 191.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 131218553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).