(4S)-4-(1-aminoethenyl)thiolan-2-one

C6H9NOS — CID 163726939

IUPAC(4S)-4-(1-aminoethenyl)thiolan-2-one
SMILESC=C(N)[C@H]1CSC(=O)C1
InChIInChI=1S/C6H9NOS/c1-4(7)5-2-6(8)9-3-5/h5H,1-3,7H2/t5-/m1/s1
InChIKeyMVDFRZIHJITWJI-RXMQYKEDSA-N
MW143.21 g/mol
LogP0.74
Rot. Bonds1

About (4S)-4-(1-aminoethenyl)thiolan-2-one

(4S)-4-(1-aminoethenyl)thiolan-2-one (PubChem CID 163726939) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is (4S)-4-(1-aminoethenyl)thiolan-2-one.

Molecular Properties

Compound Name(4S)-4-(1-aminoethenyl)thiolan-2-one
PubChem CID163726939
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name(4S)-4-(1-aminoethenyl)thiolan-2-one
SMILESC=C(N)[C@H]1CSC(=O)C1
InChIInChI=1S/C6H9NOS/c1-4(7)5-2-6(8)9-3-5/h5H,1-3,7H2/t5-/m1/s1
InChIKeyMVDFRZIHJITWJI-RXMQYKEDSA-N
XLogP0.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-aminoethenyl)thiolan-2-one?
The IUPAC name of (4S)-4-(1-aminoethenyl)thiolan-2-one (CID 163726939) is (4S)-4-(1-aminoethenyl)thiolan-2-one.
What is the SMILES notation for (4S)-4-(1-aminoethenyl)thiolan-2-one?
The canonical SMILES for (4S)-4-(1-aminoethenyl)thiolan-2-one is C=C(N)[C@H]1CSC(=O)C1.
What is the InChIKey of (4S)-4-(1-aminoethenyl)thiolan-2-one?
The InChIKey is MVDFRZIHJITWJI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4(7)5-2-6(8)9-3-5/h5H,1-3,7H2/t5-/m1/s1.
What are the key properties of (4S)-4-(1-aminoethenyl)thiolan-2-one?
(4S)-4-(1-aminoethenyl)thiolan-2-one has a molecular weight of 143.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-aminoethenyl)thiolan-2-one is sourced from PubChem (CID 163726939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).