cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium

C10H14CoN3O2S2+3 — CID 50911129

IUPACcobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium
SMILESCSC(=S)NN=Cc1c(CO)cnc(C)c1[OH2+].[Co+2]
InChIInChI=1S/C10H13N3O2S2.Co/c1-6-9(15)8(7(5-14)3-11-6)4-12-13-10(16)17-2;/h3-4,14-15H,5H2,1-2H3,(H,13,16);/q;+2/p+1
InChIKeyULOWQCFTDMPTFN-UHFFFAOYSA-O
MW331.31 g/mol
LogP0.89
Rot. Bonds3

About cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium

cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium (PubChem CID 50911129) has the molecular formula C10H14CoN3O2S2+3 and a molecular weight of 331.31 g/mol. Its IUPAC name is cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium.

Molecular Properties

Compound Namecobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium
PubChem CID50911129
Molecular FormulaC10H14CoN3O2S2+3
Molecular Weight331.31 g/mol
Exact Mass330.98
IUPAC Namecobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium
SMILESCSC(=S)NN=Cc1c(CO)cnc(C)c1[OH2+].[Co+2]
InChIInChI=1S/C10H13N3O2S2.Co/c1-6-9(15)8(7(5-14)3-11-6)4-12-13-10(16)17-2;/h3-4,14-15H,5H2,1-2H3,(H,13,16);/q;+2/p+1
InChIKeyULOWQCFTDMPTFN-UHFFFAOYSA-O
XLogP0.89
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium?
The IUPAC name of cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium (CID 50911129) is cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium.
What is the SMILES notation for cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium?
The canonical SMILES for cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium is CSC(=S)NN=Cc1c(CO)cnc(C)c1[OH2+].[Co+2].
What is the InChIKey of cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium?
The InChIKey is ULOWQCFTDMPTFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3O2S2.Co/c1-6-9(15)8(7(5-14)3-11-6)4-12-13-10(16)17-2;/h3-4,14-15H,5H2,1-2H3,(H,13,16);/q;+2/p+1.
What are the key properties of cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium?
cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium has a molecular weight of 331.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);[5-(hydroxymethyl)-2-methyl-4-[(methylsulfanylcarbothioylhydrazinylidene)methyl]-3-pyridinyl]oxidanium is sourced from PubChem (CID 50911129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).