acetaldehyde;2-aminoethanethiol

C4H11NOS — CID 159451967

IUPACacetaldehyde;2-aminoethanethiol
SMILESCC=O.NCCS
InChIInChI=1S/C2H7NS.C2H4O/c3-1-2-4;1-2-3/h4H,1-3H2;2H,1H3
InChIKeyLTMKSKRALXJVLM-UHFFFAOYSA-N
MW121.20 g/mol
LogP0.08
Rot. Bonds1

About acetaldehyde;2-aminoethanethiol

acetaldehyde;2-aminoethanethiol (PubChem CID 159451967) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is acetaldehyde;2-aminoethanethiol.

Molecular Properties

Compound Nameacetaldehyde;2-aminoethanethiol
PubChem CID159451967
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Nameacetaldehyde;2-aminoethanethiol
SMILESCC=O.NCCS
InChIInChI=1S/C2H7NS.C2H4O/c3-1-2-4;1-2-3/h4H,1-3H2;2H,1H3
InChIKeyLTMKSKRALXJVLM-UHFFFAOYSA-N
XLogP0.08
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-aminoethanethiol);nickel(2+)
CID 19773887
acetaldehyde;ethanamine;ethane;propane
CID 158850439
acetaldehyde
CID 158130567
2-aminoethanethiol;dichloromethane
CID 174817239
2-aminoethanethiol;urea;hydrochloride
CID 175056762
propan-1-amine;4-sulfanylbutanal
CID 171807408
2-aminoethanethiol;prop-2-enoic acid
CID 159161663
sodium;2-aminoethanethiol;phosphoric acid
CID 23615661
acetaldehyde;gold
CID 173056569
acetaldehyde;azane
CID 158638397
acetaldehyde;germane
CID 173117793
acetaldehyde;stibane
CID 173001465

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-aminoethanethiol?
The IUPAC name of acetaldehyde;2-aminoethanethiol (CID 159451967) is acetaldehyde;2-aminoethanethiol.
What is the SMILES notation for acetaldehyde;2-aminoethanethiol?
The canonical SMILES for acetaldehyde;2-aminoethanethiol is CC=O.NCCS.
What is the InChIKey of acetaldehyde;2-aminoethanethiol?
The InChIKey is LTMKSKRALXJVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.C2H4O/c3-1-2-4;1-2-3/h4H,1-3H2;2H,1H3.
What are the key properties of acetaldehyde;2-aminoethanethiol?
acetaldehyde;2-aminoethanethiol has a molecular weight of 121.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-aminoethanethiol is sourced from PubChem (CID 159451967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).