cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)

C20H20CoN16S4+6 — CID 22834093

IUPACcobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)
SMILESS=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.[Co+2]
InChIInChI=1S/4C5H4N4S.Co/c4*10-5-3-4(7-1-6-3)8-2-9-5;/h4*1-2H,(H2,6,7,8,9,10);/q;;;;+2/p+4
InChIKeyZINJKRVRCSGVOT-UHFFFAOYSA-R
MW671.69 g/mol
LogP1.74
Rot. Bonds

About cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)

cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione) (PubChem CID 22834093) has the molecular formula C20H20CoN16S4+6 and a molecular weight of 671.69 g/mol. Its IUPAC name is cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione).

Molecular Properties

Compound Namecobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)
PubChem CID22834093
Molecular FormulaC20H20CoN16S4+6
Molecular Weight671.69 g/mol
Exact Mass671.02
IUPAC Namecobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)
SMILESS=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.[Co+2]
InChIInChI=1S/4C5H4N4S.Co/c4*10-5-3-4(7-1-6-3)8-2-9-5;/h4*1-2H,(H2,6,7,8,9,10);/q;;;;+2/p+4
InChIKeyZINJKRVRCSGVOT-UHFFFAOYSA-R
XLogP1.74
TPSA234.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.69
LogP ≤ 51.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(3,7-dihydropurin-1-ium-6-thione);platinum
CID 22833915
3,7-dihydropurin-1-ium-6-thione;(4-methoxyphenyl)mercury(1+)
CID 50912126
3,7-dihydropurine-6-thione;platinum
CID 71358741
2-amino-3,7-dihydropurine-6-thione
CID 156593677
2-(ethylamino)-3,7-dihydropurine-6-thione
CID 4995062
1-butyl-2-sulfanylidene-3,7-dihydropurin-6-one
CID 70978515
2-(hydroxyamino)-3,7-dihydropurine-6-thione
CID 3036492
2-(propan-2-ylamino)-3,7-dihydropurine-6-thione
CID 134817853
1-cyclopropyl-3,7-dihydropurine-2,6-dithione
CID 140997962
3,7-dihydropurine-2-thione
CID 3015569
methyl 2-(6-sulfanylidene-3,7-dihydropurin-2-yl)acetate
CID 67767927
1-(2-methoxyethyl)-2-sulfanylidene-3,7-dihydropurin-6-one
CID 142820609

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)?
The IUPAC name of cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione) (CID 22834093) is cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione).
What is the SMILES notation for cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)?
The canonical SMILES for cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione) is S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.[Co+2].
What is the InChIKey of cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)?
The InChIKey is ZINJKRVRCSGVOT-UHFFFAOYSA-R. The full InChI is InChI=1S/4C5H4N4S.Co/c4*10-5-3-4(7-1-6-3)8-2-9-5;/h4*1-2H,(H2,6,7,8,9,10);/q;;;;+2/p+4.
What are the key properties of cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)?
cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione) has a molecular weight of 671.69 g/mol, XLogP of 1.74, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione) is sourced from PubChem (CID 22834093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).