1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride

C7H12ClNS2 — CID 21478184

IUPAC1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride
SMILESCC(N)CSc1cccs1.Cl
InChIInChI=1S/C7H11NS2.ClH/c1-6(8)5-10-7-3-2-4-9-7;/h2-4,6H,5,8H2,1H3;1H
InChIKeyAUOFEYXXKAJKEI-UHFFFAOYSA-N
MW209.77 g/mol
LogP2.61
Rot. Bonds3

About 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride

1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride (PubChem CID 21478184) has the molecular formula C7H12ClNS2 and a molecular weight of 209.77 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride
PubChem CID21478184
Molecular FormulaC7H12ClNS2
Molecular Weight209.77 g/mol
Exact Mass209.01
IUPAC Name1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride
SMILESCC(N)CSc1cccs1.Cl
InChIInChI=1S/C7H11NS2.ClH/c1-6(8)5-10-7-3-2-4-9-7;/h2-4,6H,5,8H2,1H3;1H
InChIKeyAUOFEYXXKAJKEI-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride?
The IUPAC name of 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride (CID 21478184) is 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride is CC(N)CSc1cccs1.Cl.
What is the InChIKey of 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride?
The InChIKey is AUOFEYXXKAJKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2.ClH/c1-6(8)5-10-7-3-2-4-9-7;/h2-4,6H,5,8H2,1H3;1H.
What are the key properties of 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride?
1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride has a molecular weight of 209.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfanylpropan-2-amine;hydrochloride is sourced from PubChem (CID 21478184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).