1-hydroxysulfanylethanamine;hydrochloride

C2H8ClNOS — CID 175444414

IUPAC1-hydroxysulfanylethanamine;hydrochloride
SMILESCC(N)SO.Cl
InChIInChI=1S/C2H7NOS.ClH/c1-2(3)5-4;/h2,4H,3H2,1H3;1H
InChIKeyFFNKCXOLEHDKKN-UHFFFAOYSA-N
MW129.61 g/mol
LogP0.92
Rot. Bonds1

About 1-hydroxysulfanylethanamine;hydrochloride

1-hydroxysulfanylethanamine;hydrochloride (PubChem CID 175444414) has the molecular formula C2H8ClNOS and a molecular weight of 129.61 g/mol. Its IUPAC name is 1-hydroxysulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name1-hydroxysulfanylethanamine;hydrochloride
PubChem CID175444414
Molecular FormulaC2H8ClNOS
Molecular Weight129.61 g/mol
Exact Mass129.00
IUPAC Name1-hydroxysulfanylethanamine;hydrochloride
SMILESCC(N)SO.Cl
InChIInChI=1S/C2H7NOS.ClH/c1-2(3)5-4;/h2,4H,3H2,1H3;1H
InChIKeyFFNKCXOLEHDKKN-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.61
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfanylethanamine;hydrochloride?
The IUPAC name of 1-hydroxysulfanylethanamine;hydrochloride (CID 175444414) is 1-hydroxysulfanylethanamine;hydrochloride.
What is the SMILES notation for 1-hydroxysulfanylethanamine;hydrochloride?
The canonical SMILES for 1-hydroxysulfanylethanamine;hydrochloride is CC(N)SO.Cl.
What is the InChIKey of 1-hydroxysulfanylethanamine;hydrochloride?
The InChIKey is FFNKCXOLEHDKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS.ClH/c1-2(3)5-4;/h2,4H,3H2,1H3;1H.
What are the key properties of 1-hydroxysulfanylethanamine;hydrochloride?
1-hydroxysulfanylethanamine;hydrochloride has a molecular weight of 129.61 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfanylethanamine;hydrochloride is sourced from PubChem (CID 175444414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).