4-(2,5-dichlorothiophen-3-yl)butan-1-amine

C8H11Cl2NS — CID 65305901

IUPAC4-(2,5-dichlorothiophen-3-yl)butan-1-amine
SMILESNCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H11Cl2NS/c9-7-5-6(8(10)12-7)3-1-2-4-11/h5H,1-4,11H2
InChIKeyOFSHJCDAGYEWNN-UHFFFAOYSA-N
MW224.16 g/mol
LogP3.34
Rot. Bonds4

About 4-(2,5-dichlorothiophen-3-yl)butan-1-amine

4-(2,5-dichlorothiophen-3-yl)butan-1-amine (PubChem CID 65305901) has the molecular formula C8H11Cl2NS and a molecular weight of 224.16 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)butan-1-amine
PubChem CID65305901
Molecular FormulaC8H11Cl2NS
Molecular Weight224.16 g/mol
Exact Mass223.00
IUPAC Name4-(2,5-dichlorothiophen-3-yl)butan-1-amine
SMILESNCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H11Cl2NS/c9-7-5-6(8(10)12-7)3-1-2-4-11/h5H,1-4,11H2
InChIKeyOFSHJCDAGYEWNN-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)butan-1-amine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)butan-1-amine (CID 65305901) is 4-(2,5-dichlorothiophen-3-yl)butan-1-amine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)butan-1-amine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)butan-1-amine is NCCCCc1cc(Cl)sc1Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)butan-1-amine?
The InChIKey is OFSHJCDAGYEWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NS/c9-7-5-6(8(10)12-7)3-1-2-4-11/h5H,1-4,11H2.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)butan-1-amine?
4-(2,5-dichlorothiophen-3-yl)butan-1-amine has a molecular weight of 224.16 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)butan-1-amine is sourced from PubChem (CID 65305901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).