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

C7H9Cl2NS — CID 59475094

IUPAC1-(4,5-dichlorothiophen-3-yl)propan-2-amine
SMILESCC(N)Cc1csc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2NS/c1-4(10)2-5-3-11-7(9)6(5)8/h3-4H,2,10H2,1H3
InChIKeyZLFSPIXQEATAJT-UHFFFAOYSA-N
MW210.13 g/mol
LogP2.94
Rot. Bonds2

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

1-(4,5-dichlorothiophen-3-yl)propan-2-amine (PubChem CID 59475094) has the molecular formula C7H9Cl2NS and a molecular weight of 210.13 g/mol. Its IUPAC name is 1-(4,5-dichlorothiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dichlorothiophen-3-yl)propan-2-amine
PubChem CID59475094
Molecular FormulaC7H9Cl2NS
Molecular Weight210.13 g/mol
Exact Mass208.98
IUPAC Name1-(4,5-dichlorothiophen-3-yl)propan-2-amine
SMILESCC(N)Cc1csc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2NS/c1-4(10)2-5-3-11-7(9)6(5)8/h3-4H,2,10H2,1H3
InChIKeyZLFSPIXQEATAJT-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichlorothiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(4,5-dichlorothiophen-3-yl)propan-2-amine (CID 59475094) is 1-(4,5-dichlorothiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4,5-dichlorothiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(4,5-dichlorothiophen-3-yl)propan-2-amine is CC(N)Cc1csc(Cl)c1Cl.
What is the InChIKey of 1-(4,5-dichlorothiophen-3-yl)propan-2-amine?
The InChIKey is ZLFSPIXQEATAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NS/c1-4(10)2-5-3-11-7(9)6(5)8/h3-4H,2,10H2,1H3.
What are the key properties of 1-(4,5-dichlorothiophen-3-yl)propan-2-amine?
1-(4,5-dichlorothiophen-3-yl)propan-2-amine has a molecular weight of 210.13 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichlorothiophen-3-yl)propan-2-amine is sourced from PubChem (CID 59475094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).