2-aminoethanethiol;dihydrochloride

C2H9Cl2NS — CID 10154133

IUPAC2-aminoethanethiol;dihydrochloride
SMILESCl.Cl.NCCS
InChIInChI=1S/C2H7NS.2ClH/c3-1-2-4;;/h4H,1-3H2;2*1H
InChIKeyMJZJRYUPMNKDQR-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.72
Rot. Bonds1

About 2-aminoethanethiol;dihydrochloride

2-aminoethanethiol;dihydrochloride (PubChem CID 10154133) has the molecular formula C2H9Cl2NS and a molecular weight of 150.07 g/mol. Its IUPAC name is 2-aminoethanethiol;dihydrochloride.

Molecular Properties

Compound Name2-aminoethanethiol;dihydrochloride
PubChem CID10154133
Molecular FormulaC2H9Cl2NS
Molecular Weight150.07 g/mol
Exact Mass148.98
IUPAC Name2-aminoethanethiol;dihydrochloride
SMILESCl.Cl.NCCS
InChIInChI=1S/C2H7NS.2ClH/c3-1-2-4;;/h4H,1-3H2;2*1H
InChIKeyMJZJRYUPMNKDQR-UHFFFAOYSA-N
XLogP0.72
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;dihydrochloride?
The IUPAC name of 2-aminoethanethiol;dihydrochloride (CID 10154133) is 2-aminoethanethiol;dihydrochloride.
What is the SMILES notation for 2-aminoethanethiol;dihydrochloride?
The canonical SMILES for 2-aminoethanethiol;dihydrochloride is Cl.Cl.NCCS.
What is the InChIKey of 2-aminoethanethiol;dihydrochloride?
The InChIKey is MJZJRYUPMNKDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.2ClH/c3-1-2-4;;/h4H,1-3H2;2*1H.
What are the key properties of 2-aminoethanethiol;dihydrochloride?
2-aminoethanethiol;dihydrochloride has a molecular weight of 150.07 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;dihydrochloride is sourced from PubChem (CID 10154133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).