bis(prop-2-enethioic S-acid);zinc

C6H8O2S2Zn — CID 87206809

IUPACbis(prop-2-enethioic S-acid);zinc
SMILESC=CC(=O)S.C=CC(=O)S.[Zn]
InChIInChI=1S/2C3H4OS.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);
InChIKeyCAQDZOMHCTVQAD-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.26
Rot. Bonds2

About bis(prop-2-enethioic S-acid);zinc

bis(prop-2-enethioic S-acid);zinc (PubChem CID 87206809) has the molecular formula C6H8O2S2Zn and a molecular weight of 241.65 g/mol. Its IUPAC name is bis(prop-2-enethioic S-acid);zinc.

Molecular Properties

Compound Namebis(prop-2-enethioic S-acid);zinc
PubChem CID87206809
Molecular FormulaC6H8O2S2Zn
Molecular Weight241.65 g/mol
Exact Mass239.93
IUPAC Namebis(prop-2-enethioic S-acid);zinc
SMILESC=CC(=O)S.C=CC(=O)S.[Zn]
InChIInChI=1S/2C3H4OS.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);
InChIKeyCAQDZOMHCTVQAD-UHFFFAOYSA-N
XLogP1.26
TPSA34.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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bis(prop-2-enoic acid);hydrochloride
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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enethioic S-acid);zinc?
The IUPAC name of bis(prop-2-enethioic S-acid);zinc (CID 87206809) is bis(prop-2-enethioic S-acid);zinc.
What is the SMILES notation for bis(prop-2-enethioic S-acid);zinc?
The canonical SMILES for bis(prop-2-enethioic S-acid);zinc is C=CC(=O)S.C=CC(=O)S.[Zn].
What is the InChIKey of bis(prop-2-enethioic S-acid);zinc?
The InChIKey is CAQDZOMHCTVQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4OS.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);.
What are the key properties of bis(prop-2-enethioic S-acid);zinc?
bis(prop-2-enethioic S-acid);zinc has a molecular weight of 241.65 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enethioic S-acid);zinc is sourced from PubChem (CID 87206809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).