bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)

C26H24MnN10S2 — CID 25193515

IUPACbis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)
SMILESC/N=C(/[S-])NN=C(c1ccccn1)c1ccccn1.C/N=C(\[S-])NN=C(c1ccccn1)c1ccccn1.[Mn+2]
InChIInChI=1S/2C13H13N5S.Mn/c2*1-14-13(19)18-17-12(10-6-2-4-8-15-10)11-7-3-5-9-16-11;/h2*2-9H,1H3,(H2,14,18,19);/q;;+2/p-2
InChIKeyPQSAQSGMBPPNNM-UHFFFAOYSA-L
MW595.62 g/mol
LogP2.70
Rot. Bonds6

About bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)

bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+) (PubChem CID 25193515) has the molecular formula C26H24MnN10S2 and a molecular weight of 595.62 g/mol. Its IUPAC name is bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+).

Molecular Properties

Compound Namebis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)
PubChem CID25193515
Molecular FormulaC26H24MnN10S2
Molecular Weight595.62 g/mol
Exact Mass595.10
IUPAC Namebis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)
SMILESC/N=C(/[S-])NN=C(c1ccccn1)c1ccccn1.C/N=C(\[S-])NN=C(c1ccccn1)c1ccccn1.[Mn+2]
InChIInChI=1S/2C13H13N5S.Mn/c2*1-14-13(19)18-17-12(10-6-2-4-8-15-10)11-7-3-5-9-16-11;/h2*2-9H,1H3,(H2,14,18,19);/q;;+2/p-2
InChIKeyPQSAQSGMBPPNNM-UHFFFAOYSA-L
XLogP2.70
TPSA125.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.62
LogP ≤ 52.70
H-Bond Donors ≤ 52
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

zinc bis(N-(dipyridin-2-ylmethylideneamino)-N'-phenylcarbamimidothioate)
CID 25193925
bis(N'-ethyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]carbamimidothioate);iron(2+)
CID 16749582
bis(N-(dipyridin-2-ylmethylideneamino)-N'-prop-2-enylcarbamimidothioate);iron(3+);perchlorate
CID 11974022
3-(dipyridin-2-ylmethylideneamino)-1-methyl-1-propan-2-ylthiourea
CID 145284856
1-N,4-N-bis(dipyridin-2-ylmethylideneamino)piperazine-1,4-dicarbothioamide
CID 101026820
bis(N'-ethyl-N-[(E)-[(4-iodophenyl)-pyridin-2-ylmethylidene]amino]carbamimidothioate);iron(3+);perchlorate
CID 54757436
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
CID 58752142
N-(dipyridin-2-ylmethylideneamino)-4-methylpiperazine-1-carbothioamide
CID 42636950
6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
CID 102349803
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078

Frequently Asked Questions

What is the IUPAC name of bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)?
The IUPAC name of bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+) (CID 25193515) is bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+).
What is the SMILES notation for bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)?
The canonical SMILES for bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+) is C/N=C(/[S-])NN=C(c1ccccn1)c1ccccn1.C/N=C(\[S-])NN=C(c1ccccn1)c1ccccn1.[Mn+2].
What is the InChIKey of bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)?
The InChIKey is PQSAQSGMBPPNNM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H13N5S.Mn/c2*1-14-13(19)18-17-12(10-6-2-4-8-15-10)11-7-3-5-9-16-11;/h2*2-9H,1H3,(H2,14,18,19);/q;;+2/p-2.
What are the key properties of bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)?
bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+) has a molecular weight of 595.62 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+) is sourced from PubChem (CID 25193515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).