cobalt;2-methylpropoxymethanedithioic acid

C5H10CoOS2 — CID 175412800

IUPACcobalt;2-methylpropoxymethanedithioic acid
SMILESCC(C)COC(=S)S.[Co]
InChIInChI=1S/C5H10OS2.Co/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);
InChIKeyCNTKXXGZAFDQKB-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.87
Rot. Bonds2

About cobalt;2-methylpropoxymethanedithioic acid

cobalt;2-methylpropoxymethanedithioic acid (PubChem CID 175412800) has the molecular formula C5H10CoOS2 and a molecular weight of 209.20 g/mol. Its IUPAC name is cobalt;2-methylpropoxymethanedithioic acid.

Molecular Properties

Compound Namecobalt;2-methylpropoxymethanedithioic acid
PubChem CID175412800
Molecular FormulaC5H10CoOS2
Molecular Weight209.20 g/mol
Exact Mass208.95
IUPAC Namecobalt;2-methylpropoxymethanedithioic acid
SMILESCC(C)COC(=S)S.[Co]
InChIInChI=1S/C5H10OS2.Co/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);
InChIKeyCNTKXXGZAFDQKB-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cobalt;2-methylpropoxymethanedithioic acid 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

butan-1-amine;2-methylpropoxymethanedithioic acid
CID 175597383
O-(2-methylpropyl) N-ethoxycarbothioylcarbamothioate
CID 13494854
ethoxymethanedithioic acid
CID 8823
3-(2-methylpropoxy)butanethioamide
CID 114995291
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
ethoxymethanedithioic acid;nickel
CID 54611890
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
1-(2-methylpropoxy)ethenol
CID 23557813
CID 162340121
CID 162340121
sodium;ethoxymethanedithioic acid;hydride
CID 173025447
ethoxymethanedithioic acid;2-sulfanylpropanoic acid
CID 158327861
carbamodithioic acid;propan-2-ol
CID 71434937

Frequently Asked Questions

What is the IUPAC name of cobalt;2-methylpropoxymethanedithioic acid?
The IUPAC name of cobalt;2-methylpropoxymethanedithioic acid (CID 175412800) is cobalt;2-methylpropoxymethanedithioic acid.
What is the SMILES notation for cobalt;2-methylpropoxymethanedithioic acid?
The canonical SMILES for cobalt;2-methylpropoxymethanedithioic acid is CC(C)COC(=S)S.[Co].
What is the InChIKey of cobalt;2-methylpropoxymethanedithioic acid?
The InChIKey is CNTKXXGZAFDQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2.Co/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);.
What are the key properties of cobalt;2-methylpropoxymethanedithioic acid?
cobalt;2-methylpropoxymethanedithioic acid has a molecular weight of 209.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-methylpropoxymethanedithioic acid is sourced from PubChem (CID 175412800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).