2-tert-butylsulfanylethanamine;hydrochloride

C6H16ClNS — CID 2776973

IUPAC2-tert-butylsulfanylethanamine;hydrochloride
SMILESCC(C)(C)SCCN.Cl
InChIInChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H
InChIKeyYJAKJFWAOKKUJK-UHFFFAOYSA-N
MW169.72 g/mol
LogP1.90
Rot. Bonds2

About 2-tert-butylsulfanylethanamine;hydrochloride

2-tert-butylsulfanylethanamine;hydrochloride (PubChem CID 2776973) has the molecular formula C6H16ClNS and a molecular weight of 169.72 g/mol. Its IUPAC name is 2-tert-butylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-tert-butylsulfanylethanamine;hydrochloride
PubChem CID2776973
Molecular FormulaC6H16ClNS
Molecular Weight169.72 g/mol
Exact Mass169.07
IUPAC Name2-tert-butylsulfanylethanamine;hydrochloride
SMILESCC(C)(C)SCCN.Cl
InChIInChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H
InChIKeyYJAKJFWAOKKUJK-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanylethanamine;hydrochloride?
The IUPAC name of 2-tert-butylsulfanylethanamine;hydrochloride (CID 2776973) is 2-tert-butylsulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-tert-butylsulfanylethanamine;hydrochloride?
The canonical SMILES for 2-tert-butylsulfanylethanamine;hydrochloride is CC(C)(C)SCCN.Cl.
What is the InChIKey of 2-tert-butylsulfanylethanamine;hydrochloride?
The InChIKey is YJAKJFWAOKKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H.
What are the key properties of 2-tert-butylsulfanylethanamine;hydrochloride?
2-tert-butylsulfanylethanamine;hydrochloride has a molecular weight of 169.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 2776973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).