1-aminoethanethiol;hydrochloride

C2H8ClNS — CID 12915949

IUPAC1-aminoethanethiol;hydrochloride
SMILESCC(N)S.Cl
InChIInChI=1S/C2H7NS.ClH/c1-2(3)4;/h2,4H,3H2,1H3;1H
InChIKeyGNETVHIDZPYGGD-UHFFFAOYSA-N
MW113.61 g/mol
LogP0.64
Rot. Bonds

About 1-aminoethanethiol;hydrochloride

1-aminoethanethiol;hydrochloride (PubChem CID 12915949) has the molecular formula C2H8ClNS and a molecular weight of 113.61 g/mol. Its IUPAC name is 1-aminoethanethiol;hydrochloride.

Molecular Properties

Compound Name1-aminoethanethiol;hydrochloride
PubChem CID12915949
Molecular FormulaC2H8ClNS
Molecular Weight113.61 g/mol
Exact Mass113.01
IUPAC Name1-aminoethanethiol;hydrochloride
SMILESCC(N)S.Cl
InChIInChI=1S/C2H7NS.ClH/c1-2(3)4;/h2,4H,3H2,1H3;1H
InChIKeyGNETVHIDZPYGGD-UHFFFAOYSA-N
XLogP0.64
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.61
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethanethiol;hydrochloride?
The IUPAC name of 1-aminoethanethiol;hydrochloride (CID 12915949) is 1-aminoethanethiol;hydrochloride.
What is the SMILES notation for 1-aminoethanethiol;hydrochloride?
The canonical SMILES for 1-aminoethanethiol;hydrochloride is CC(N)S.Cl.
What is the InChIKey of 1-aminoethanethiol;hydrochloride?
The InChIKey is GNETVHIDZPYGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.ClH/c1-2(3)4;/h2,4H,3H2,1H3;1H.
What are the key properties of 1-aminoethanethiol;hydrochloride?
1-aminoethanethiol;hydrochloride has a molecular weight of 113.61 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanethiol;hydrochloride is sourced from PubChem (CID 12915949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).