bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)

C16H14Cl2N4S2Sn — CID 15978262

IUPACbis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)
SMILESCc1cc(C)c(C#N)c([S-])n1.Cc1cc(C)c(C#N)c([S-])n1.Cl[Sn+2]Cl
InChIInChI=1S/2C8H8N2S.2ClH.Sn/c2*1-5-3-6(2)10-8(11)7(5)4-9;;;/h2*3H,1-2H3,(H,10,11);2*1H;/q;;;;+4/p-4
InChIKeyHHMMDDVVTHFXFN-UHFFFAOYSA-J
MW516.07 g/mol
LogP3.95
Rot. Bonds

About bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)

bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+) (PubChem CID 15978262) has the molecular formula C16H14Cl2N4S2Sn and a molecular weight of 516.07 g/mol. Its IUPAC name is bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+).

Molecular Properties

Compound Namebis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)
PubChem CID15978262
Molecular FormulaC16H14Cl2N4S2Sn
Molecular Weight516.07 g/mol
Exact Mass515.91
IUPAC Namebis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)
SMILESCc1cc(C)c(C#N)c([S-])n1.Cc1cc(C)c(C#N)c([S-])n1.Cl[Sn+2]Cl
InChIInChI=1S/2C8H8N2S.2ClH.Sn/c2*1-5-3-6(2)10-8(11)7(5)4-9;;;/h2*3H,1-2H3,(H,10,11);2*1H;/q;;;;+4/p-4
InChIKeyHHMMDDVVTHFXFN-UHFFFAOYSA-J
XLogP3.95
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.07
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-thiolate
CID 7063940
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 55195359
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 784964
2-(3,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60710655
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
N-(3-cyano-4,6-dimethyl-2-pyridinyl)methanesulfonamide
CID 59939151
2-chloro-5-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]benzoic acid
CID 60860716
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61176297

Frequently Asked Questions

What is the IUPAC name of bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)?
The IUPAC name of bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+) (CID 15978262) is bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+).
What is the SMILES notation for bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)?
The canonical SMILES for bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+) is Cc1cc(C)c(C#N)c([S-])n1.Cc1cc(C)c(C#N)c([S-])n1.Cl[Sn+2]Cl.
What is the InChIKey of bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)?
The InChIKey is HHMMDDVVTHFXFN-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H8N2S.2ClH.Sn/c2*1-5-3-6(2)10-8(11)7(5)4-9;;;/h2*3H,1-2H3,(H,10,11);2*1H;/q;;;;+4/p-4.
What are the key properties of bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)?
bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+) has a molecular weight of 516.07 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+) is sourced from PubChem (CID 15978262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).