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

C7H10Cl3NS — CID 71401263

IUPAC1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)c(Cl)s1.Cl
InChIInChI=1S/C7H9Cl2NS.ClH/c1-4(10)2-5-3-6(8)7(9)11-5;/h3-4H,2,10H2,1H3;1H
InChIKeyXZEUTOXBFJMCLG-UHFFFAOYSA-N
MW246.59 g/mol
LogP3.37
Rot. Bonds2

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

1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride (PubChem CID 71401263) has the molecular formula C7H10Cl3NS and a molecular weight of 246.59 g/mol. Its IUPAC name is 1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride
PubChem CID71401263
Molecular FormulaC7H10Cl3NS
Molecular Weight246.59 g/mol
Exact Mass244.96
IUPAC Name1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)c(Cl)s1.Cl
InChIInChI=1S/C7H9Cl2NS.ClH/c1-4(10)2-5-3-6(8)7(9)11-5;/h3-4H,2,10H2,1H3;1H
InChIKeyXZEUTOXBFJMCLG-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.59
LogP ≤ 53.37
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-2-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride (CID 71401263) is 1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride is CC(N)Cc1cc(Cl)c(Cl)s1.Cl.
What is the InChIKey of 1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride?
The InChIKey is XZEUTOXBFJMCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NS.ClH/c1-4(10)2-5-3-6(8)7(9)11-5;/h3-4H,2,10H2,1H3;1H.
What are the key properties of 1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride?
1-(4,5-dichlorothiophen-2-yl)propan-2-amine;hydrochloride has a molecular weight of 246.59 g/mol, XLogP of 3.37, 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-2-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 71401263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).