S-prop-2-enyl 2-hydroxyethanethioate;silver

C5H8AgO2S — CID 88846601

IUPACS-prop-2-enyl 2-hydroxyethanethioate;silver
SMILESC=CCSC(=O)CO.[Ag]
InChIInChI=1S/C5H8O2S.Ag/c1-2-3-8-5(7)4-6;/h2,6H,1,3-4H2;
InChIKeyNTEVWCVHBKESAG-UHFFFAOYSA-N
MW240.05 g/mol
LogP0.42
Rot. Bonds3

About S-prop-2-enyl 2-hydroxyethanethioate;silver

S-prop-2-enyl 2-hydroxyethanethioate;silver (PubChem CID 88846601) has the molecular formula C5H8AgO2S and a molecular weight of 240.05 g/mol. Its IUPAC name is S-prop-2-enyl 2-hydroxyethanethioate;silver.

Molecular Properties

Compound NameS-prop-2-enyl 2-hydroxyethanethioate;silver
PubChem CID88846601
Molecular FormulaC5H8AgO2S
Molecular Weight240.05 g/mol
Exact Mass238.93
IUPAC NameS-prop-2-enyl 2-hydroxyethanethioate;silver
SMILESC=CCSC(=O)CO.[Ag]
InChIInChI=1S/C5H8O2S.Ag/c1-2-3-8-5(7)4-6;/h2,6H,1,3-4H2;
InChIKeyNTEVWCVHBKESAG-UHFFFAOYSA-N
XLogP0.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of S-prop-2-enyl 2-hydroxyethanethioate;silver?
The IUPAC name of S-prop-2-enyl 2-hydroxyethanethioate;silver (CID 88846601) is S-prop-2-enyl 2-hydroxyethanethioate;silver.
What is the SMILES notation for S-prop-2-enyl 2-hydroxyethanethioate;silver?
The canonical SMILES for S-prop-2-enyl 2-hydroxyethanethioate;silver is C=CCSC(=O)CO.[Ag].
What is the InChIKey of S-prop-2-enyl 2-hydroxyethanethioate;silver?
The InChIKey is NTEVWCVHBKESAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S.Ag/c1-2-3-8-5(7)4-6;/h2,6H,1,3-4H2;.
What are the key properties of S-prop-2-enyl 2-hydroxyethanethioate;silver?
S-prop-2-enyl 2-hydroxyethanethioate;silver has a molecular weight of 240.05 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-prop-2-enyl 2-hydroxyethanethioate;silver is sourced from PubChem (CID 88846601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).