zinc bis(1,3-oxazolidine-3-carbodithioate)

C8H12N2O2S4Zn — CID 21453977

IUPACzinc bis(1,3-oxazolidine-3-carbodithioate)
SMILESS=C([S-])N1CCOC1.S=C([S-])N1CCOC1.[Zn+2]
InChIInChI=1S/2C4H7NOS2.Zn/c2*7-4(8)5-1-2-6-3-5;/h2*1-3H2,(H,7,8);/q;;+2/p-2
InChIKeyQXTFBRRNRHKAKA-UHFFFAOYSA-L
MW361.85 g/mol
LogP0.21
Rot. Bonds

About zinc bis(1,3-oxazolidine-3-carbodithioate)

zinc bis(1,3-oxazolidine-3-carbodithioate) (PubChem CID 21453977) has the molecular formula C8H12N2O2S4Zn and a molecular weight of 361.85 g/mol. Its IUPAC name is zinc bis(1,3-oxazolidine-3-carbodithioate).

Molecular Properties

Compound Namezinc bis(1,3-oxazolidine-3-carbodithioate)
PubChem CID21453977
Molecular FormulaC8H12N2O2S4Zn
Molecular Weight361.85 g/mol
Exact Mass359.91
IUPAC Namezinc bis(1,3-oxazolidine-3-carbodithioate)
SMILESS=C([S-])N1CCOC1.S=C([S-])N1CCOC1.[Zn+2]
InChIInChI=1S/2C4H7NOS2.Zn/c2*7-4(8)5-1-2-6-3-5;/h2*1-3H2,(H,7,8);/q;;+2/p-2
InChIKeyQXTFBRRNRHKAKA-UHFFFAOYSA-L
XLogP0.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze zinc bis(1,3-oxazolidine-3-carbodithioate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-oxazolidine-3-carbodithioate;triethylazanium
CID 22766674
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103
1,3-oxazolidine-3-carbothioamide
CID 57154446
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
CID 177489628
CID 177489628
sodium piperazine-1-carbodithioate
CID 23689359
ethane;1-morpholin-4-ylethanethione
CID 142226083
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
cadmium(2+);bis(piperidine-1-carbodithioate)
CID 4196090
sodium 1,4-dioxa-8-azaspiro[4.5]decane-8-carbodithioate
CID 87287028
methyl morpholine-4-carbodithioate
CID 5043631

Frequently Asked Questions

What is the IUPAC name of zinc bis(1,3-oxazolidine-3-carbodithioate)?
The IUPAC name of zinc bis(1,3-oxazolidine-3-carbodithioate) (CID 21453977) is zinc bis(1,3-oxazolidine-3-carbodithioate).
What is the SMILES notation for zinc bis(1,3-oxazolidine-3-carbodithioate)?
The canonical SMILES for zinc bis(1,3-oxazolidine-3-carbodithioate) is S=C([S-])N1CCOC1.S=C([S-])N1CCOC1.[Zn+2].
What is the InChIKey of zinc bis(1,3-oxazolidine-3-carbodithioate)?
The InChIKey is QXTFBRRNRHKAKA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H7NOS2.Zn/c2*7-4(8)5-1-2-6-3-5;/h2*1-3H2,(H,7,8);/q;;+2/p-2.
What are the key properties of zinc bis(1,3-oxazolidine-3-carbodithioate)?
zinc bis(1,3-oxazolidine-3-carbodithioate) has a molecular weight of 361.85 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1,3-oxazolidine-3-carbodithioate) is sourced from PubChem (CID 21453977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).