cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)

C10H18CoN8O2S2 — CID 4868195

IUPACcobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)
SMILESCC(N=O)=C(C)NN=C(N)[S-].CC(N=O)=C(C)NN=C(N)[S-].[Co+2]
InChIInChI=1S/2C5H10N4OS.Co/c2*1-3(4(2)9-10)7-8-5(6)11;/h2*7H,1-2H3,(H3,6,8,11);/q;;+2/p-2
InChIKeyWZSKXTILZZUOSR-UHFFFAOYSA-L
MW405.38 g/mol
LogP0.74
Rot. Bonds6

About cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)

cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate) (PubChem CID 4868195) has the molecular formula C10H18CoN8O2S2 and a molecular weight of 405.38 g/mol. Its IUPAC name is cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate).

Molecular Properties

Compound Namecobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)
PubChem CID4868195
Molecular FormulaC10H18CoN8O2S2
Molecular Weight405.38 g/mol
Exact Mass405.03
IUPAC Namecobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)
SMILESCC(N=O)=C(C)NN=C(N)[S-].CC(N=O)=C(C)NN=C(N)[S-].[Co+2]
InChIInChI=1S/2C5H10N4OS.Co/c2*1-3(4(2)9-10)7-8-5(6)11;/h2*7H,1-2H3,(H3,6,8,11);/q;;+2/p-2
InChIKeyWZSKXTILZZUOSR-UHFFFAOYSA-L
XLogP0.74
TPSA159.68 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-dinitrosobut-2-ene
CID 24867599
carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)
CID 5475962
2-methyl-3-nitrosobut-2-ene
CID 146824322
bis(2,3-dinitrosobut-2-ene);rhodium(2+);dibromide
CID 154735013
N'-(carbamothioylamino)carbamimidothioate;tetrapropylazanium
CID 139062015
copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)
CID 5250205
(1-aminoethylideneamino)urea
CID 85436939
1,1-dichloro-2-nitrosoprop-1-ene
CID 12727294
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
(Z)-3-methyl-2-nitrosopent-2-ene
CID 123456220
N-[[amino-(hydroxyamino)methylidene]amino]acetamide
CID 151292898
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)?
The IUPAC name of cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate) (CID 4868195) is cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate).
What is the SMILES notation for cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)?
The canonical SMILES for cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate) is CC(N=O)=C(C)NN=C(N)[S-].CC(N=O)=C(C)NN=C(N)[S-].[Co+2].
What is the InChIKey of cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)?
The InChIKey is WZSKXTILZZUOSR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10N4OS.Co/c2*1-3(4(2)9-10)7-8-5(6)11;/h2*7H,1-2H3,(H3,6,8,11);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)?
cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate) has a molecular weight of 405.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate) is sourced from PubChem (CID 4868195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).