2-aminoethanethiol

C2H7NS — CID 6058

💊View drug profile → mercaptamine
IUPAC2-aminoethanethiol
SMILESNCCS
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-N
MW77.15 g/mol
LogP-0.13
Rot. Bonds1

About 2-aminoethanethiol

2-aminoethanethiol (PubChem CID 6058) has the molecular formula C2H7NS and a molecular weight of 77.15 g/mol. Its IUPAC name is 2-aminoethanethiol.

Molecular Properties

Compound Name2-aminoethanethiol
PubChem CID6058
Molecular FormulaC2H7NS
Molecular Weight77.15 g/mol
Exact Mass77.03
IUPAC Name2-aminoethanethiol
SMILESNCCS
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-N
XLogP-0.13
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminoethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cysteamine Hydrochloride
CID 9082
1-Propanethiol, 3-amino-
CID 97436
Cysteaminium
CID 3799953
CID 118985556
CID 118985556
(3-Mercaptopropyl)ammonium chloride
CID 197870
Propamine
CID 11717
2-Aminoethylsulfanium
CID 5151983
Ethanethiol, 2-amino-, hydrobromide
CID 206130
2-aminoethanethiol Dihydrochloride
CID 10154133
1-Aminoethane-1-thiol
CID 12915948
2-Amino-1-fluoroethanethiol
CID 90954039
2-Mercaptoethylammonium chloride
CID 10953464

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol?
The IUPAC name of 2-aminoethanethiol (CID 6058) is 2-aminoethanethiol.
What is the SMILES notation for 2-aminoethanethiol?
The canonical SMILES for 2-aminoethanethiol is NCCS.
What is the InChIKey of 2-aminoethanethiol?
The InChIKey is UFULAYFCSOUIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2.
What are the key properties of 2-aminoethanethiol?
2-aminoethanethiol has a molecular weight of 77.15 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol is sourced from PubChem (CID 6058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).