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

C7H10Cl3NS — CID 90673411

IUPAC1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1scc(Cl)c1Cl.Cl
InChIInChI=1S/C7H9Cl2NS.ClH/c1-4(10)2-6-7(9)5(8)3-11-6;/h3-4H,2,10H2,1H3;1H
InChIKeyHPIYQICYHHFKGA-UHFFFAOYSA-N
MW246.59 g/mol
LogP3.37
Rot. Bonds2

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

1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride (PubChem CID 90673411) has the molecular formula C7H10Cl3NS and a molecular weight of 246.59 g/mol. Its IUPAC name is 1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride
PubChem CID90673411
Molecular FormulaC7H10Cl3NS
Molecular Weight246.59 g/mol
Exact Mass244.96
IUPAC Name1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1scc(Cl)c1Cl.Cl
InChIInChI=1S/C7H9Cl2NS.ClH/c1-4(10)2-6-7(9)5(8)3-11-6;/h3-4H,2,10H2,1H3;1H
InChIKeyHPIYQICYHHFKGA-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-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride (CID 90673411) is 1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride is CC(N)Cc1scc(Cl)c1Cl.Cl.
What is the InChIKey of 1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride?
The InChIKey is HPIYQICYHHFKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NS.ClH/c1-4(10)2-6-7(9)5(8)3-11-6;/h3-4H,2,10H2,1H3;1H.
What are the key properties of 1-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride?
1-(3,4-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-(3,4-dichlorothiophen-2-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 90673411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).