5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine

C8H12ClNO2S — CID 142041016

IUPAC5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine
SMILESCNC.COc1c(C=O)csc1Cl
InChIInChI=1S/C6H5ClO2S.C2H7N/c1-9-5-4(2-8)3-10-6(5)7;1-3-2/h2-3H,1H3;3H,1-2H3
InChIKeyBJQVNPVAXQOGDM-UHFFFAOYSA-N
MW221.71 g/mol
LogP2.06
Rot. Bonds2

About 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine

5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine (PubChem CID 142041016) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine.

Molecular Properties

Compound Name5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine
PubChem CID142041016
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine
SMILESCNC.COc1c(C=O)csc1Cl
InChIInChI=1S/C6H5ClO2S.C2H7N/c1-9-5-4(2-8)3-10-6(5)7;1-3-2/h2-3H,1H3;3H,1-2H3
InChIKeyBJQVNPVAXQOGDM-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine?
The IUPAC name of 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine (CID 142041016) is 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine.
What is the SMILES notation for 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine?
The canonical SMILES for 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine is CNC.COc1c(C=O)csc1Cl.
What is the InChIKey of 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine?
The InChIKey is BJQVNPVAXQOGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2S.C2H7N/c1-9-5-4(2-8)3-10-6(5)7;1-3-2/h2-3H,1H3;3H,1-2H3.
What are the key properties of 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine?
5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine has a molecular weight of 221.71 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxythiophene-3-carbaldehyde;N-methylmethanamine is sourced from PubChem (CID 142041016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).