2-methylsulfanylethanamine;hydrochloride

C3H10ClNS — CID 22722792

IUPAC2-methylsulfanylethanamine;hydrochloride
SMILESCSCCN.Cl
InChIInChI=1S/C3H9NS.ClH/c1-5-3-2-4;/h2-4H2,1H3;1H
InChIKeyCAHZAJIZZBIDFJ-UHFFFAOYSA-N
MW127.64 g/mol
LogP0.73
Rot. Bonds2

About 2-methylsulfanylethanamine;hydrochloride

2-methylsulfanylethanamine;hydrochloride (PubChem CID 22722792) has the molecular formula C3H10ClNS and a molecular weight of 127.64 g/mol. Its IUPAC name is 2-methylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanylethanamine;hydrochloride
PubChem CID22722792
Molecular FormulaC3H10ClNS
Molecular Weight127.64 g/mol
Exact Mass127.02
IUPAC Name2-methylsulfanylethanamine;hydrochloride
SMILESCSCCN.Cl
InChIInChI=1S/C3H9NS.ClH/c1-5-3-2-4;/h2-4H2,1H3;1H
InChIKeyCAHZAJIZZBIDFJ-UHFFFAOYSA-N
XLogP0.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.64
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethanamine;hydrochloride?
The IUPAC name of 2-methylsulfanylethanamine;hydrochloride (CID 22722792) is 2-methylsulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-methylsulfanylethanamine;hydrochloride?
The canonical SMILES for 2-methylsulfanylethanamine;hydrochloride is CSCCN.Cl.
What is the InChIKey of 2-methylsulfanylethanamine;hydrochloride?
The InChIKey is CAHZAJIZZBIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NS.ClH/c1-5-3-2-4;/h2-4H2,1H3;1H.
What are the key properties of 2-methylsulfanylethanamine;hydrochloride?
2-methylsulfanylethanamine;hydrochloride has a molecular weight of 127.64 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 22722792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).