2-aminoethanethioyl chloride

C2H4ClNS — CID 123300294

IUPAC2-aminoethanethioyl chloride
SMILESNCC(=S)Cl
InChIInChI=1S/C2H4ClNS/c3-2(5)1-4/h1,4H2
InChIKeyLPKVHUGGDNJNAG-UHFFFAOYSA-N
MW109.58 g/mol
LogP0.51
Rot. Bonds1

About 2-aminoethanethioyl chloride

2-aminoethanethioyl chloride (PubChem CID 123300294) has the molecular formula C2H4ClNS and a molecular weight of 109.58 g/mol. Its IUPAC name is 2-aminoethanethioyl chloride.

Molecular Properties

Compound Name2-aminoethanethioyl chloride
PubChem CID123300294
Molecular FormulaC2H4ClNS
Molecular Weight109.58 g/mol
Exact Mass108.98
IUPAC Name2-aminoethanethioyl chloride
SMILESNCC(=S)Cl
InChIInChI=1S/C2H4ClNS/c3-2(5)1-4/h1,4H2
InChIKeyLPKVHUGGDNJNAG-UHFFFAOYSA-N
XLogP0.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.58
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethioyl chloride?
The IUPAC name of 2-aminoethanethioyl chloride (CID 123300294) is 2-aminoethanethioyl chloride.
What is the SMILES notation for 2-aminoethanethioyl chloride?
The canonical SMILES for 2-aminoethanethioyl chloride is NCC(=S)Cl.
What is the InChIKey of 2-aminoethanethioyl chloride?
The InChIKey is LPKVHUGGDNJNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNS/c3-2(5)1-4/h1,4H2.
What are the key properties of 2-aminoethanethioyl chloride?
2-aminoethanethioyl chloride has a molecular weight of 109.58 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethioyl chloride is sourced from PubChem (CID 123300294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).