1-aminoethanethiol

C2H7NS — CID 12915948

IUPAC1-aminoethanethiol
SMILESCC(N)S
InChIInChI=1S/C2H7NS/c1-2(3)4/h2,4H,3H2,1H3
InChIKeyZQXIMYREBUZLPM-UHFFFAOYSA-N
MW77.15 g/mol
LogP0.22
Rot. Bonds

About 1-aminoethanethiol

1-aminoethanethiol (PubChem CID 12915948) has the molecular formula C2H7NS and a molecular weight of 77.15 g/mol. Its IUPAC name is 1-aminoethanethiol.

Molecular Properties

Compound Name1-aminoethanethiol
PubChem CID12915948
Molecular FormulaC2H7NS
Molecular Weight77.15 g/mol
Exact Mass77.03
IUPAC Name1-aminoethanethiol
SMILESCC(N)S
InChIInChI=1S/C2H7NS/c1-2(3)4/h2,4H,3H2,1H3
InChIKeyZQXIMYREBUZLPM-UHFFFAOYSA-N
XLogP0.22
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.15
LogP ≤ 50.22
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?
The IUPAC name of 1-aminoethanethiol (CID 12915948) is 1-aminoethanethiol.
What is the SMILES notation for 1-aminoethanethiol?
The canonical SMILES for 1-aminoethanethiol is CC(N)S.
What is the InChIKey of 1-aminoethanethiol?
The InChIKey is ZQXIMYREBUZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS/c1-2(3)4/h2,4H,3H2,1H3.
What are the key properties of 1-aminoethanethiol?
1-aminoethanethiol has a molecular weight of 77.15 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanethiol is sourced from PubChem (CID 12915948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).