carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc

C7H17N3OS5Zn — CID 173305177

IUPACcarbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc
SMILESCN(C)C(=S)S.CN(C)C(=S)S.NC(=O)S.[Zn]
InChIInChI=1S/2C3H7NS2.CH3NOS.Zn/c2*1-4(2)3(5)6;2-1(3)4;/h2*1-2H3,(H,5,6);(H3,2,3,4);
InChIKeyFRMLOSPLDYNXRC-UHFFFAOYSA-N
MW384.96 g/mol
LogP1.52
Rot. Bonds

About carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc

carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc (PubChem CID 173305177) has the molecular formula C7H17N3OS5Zn and a molecular weight of 384.96 g/mol. Its IUPAC name is carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc.

Molecular Properties

Compound Namecarbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc
PubChem CID173305177
Molecular FormulaC7H17N3OS5Zn
Molecular Weight384.96 g/mol
Exact Mass382.93
IUPAC Namecarbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc
SMILESCN(C)C(=S)S.CN(C)C(=S)S.NC(=O)S.[Zn]
InChIInChI=1S/2C3H7NS2.CH3NOS.Zn/c2*1-4(2)3(5)6;2-1(3)4;/h2*1-2H3,(H,5,6);(H3,2,3,4);
InChIKeyFRMLOSPLDYNXRC-UHFFFAOYSA-N
XLogP1.52
TPSA49.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.96
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc?
The IUPAC name of carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc (CID 173305177) is carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc.
What is the SMILES notation for carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc?
The canonical SMILES for carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc is CN(C)C(=S)S.CN(C)C(=S)S.NC(=O)S.[Zn].
What is the InChIKey of carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc?
The InChIKey is FRMLOSPLDYNXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NS2.CH3NOS.Zn/c2*1-4(2)3(5)6;2-1(3)4;/h2*1-2H3,(H,5,6);(H3,2,3,4);.
What are the key properties of carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc?
carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc has a molecular weight of 384.96 g/mol, XLogP of 1.52, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc is sourced from PubChem (CID 173305177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).