hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane

C7H18N2NdO2S2 — CID 158608952

IUPAChydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane
SMILESCC(C)SSC(C)C.NNC(=O)O.[Nd]
InChIInChI=1S/C6H14S2.CH4N2O2.Nd/c1-5(2)7-8-6(3)4;2-3-1(4)5;/h5-6H,1-4H3;3H,2H2,(H,4,5);
InChIKeyHWOYACQEQVVIPL-UHFFFAOYSA-N
MW370.61 g/mol
LogP2.31
Rot. Bonds3

About hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane

hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane (PubChem CID 158608952) has the molecular formula C7H18N2NdO2S2 and a molecular weight of 370.61 g/mol. Its IUPAC name is hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane.

Molecular Properties

Compound Namehydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane
PubChem CID158608952
Molecular FormulaC7H18N2NdO2S2
Molecular Weight370.61 g/mol
Exact Mass367.99
IUPAC Namehydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane
SMILESCC(C)SSC(C)C.NNC(=O)O.[Nd]
InChIInChI=1S/C6H14S2.CH4N2O2.Nd/c1-5(2)7-8-6(3)4;2-3-1(4)5;/h5-6H,1-4H3;3H,2H2,(H,4,5);
InChIKeyHWOYACQEQVVIPL-UHFFFAOYSA-N
XLogP2.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

guanidine;hydrazinecarboxylic acid
CID 162000755
carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane
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CID 174394473
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(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
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[(2R)-1-hydrazinyl-1-oxopropan-2-yl]carbamic acid
CID 90311881
carbamothioic S-acid;hydrazinecarboxylic acid
CID 174980656
propan-2-ylsulfanylcarbamic acid;hydrochloride
CID 88673990
2-[[amino(hydrazinyl)methylidene]amino]propanamide
CID 64867512
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CID 163254583

Frequently Asked Questions

What is the IUPAC name of hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane?
The IUPAC name of hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane (CID 158608952) is hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane.
What is the SMILES notation for hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane?
The canonical SMILES for hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane is CC(C)SSC(C)C.NNC(=O)O.[Nd].
What is the InChIKey of hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane?
The InChIKey is HWOYACQEQVVIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2.CH4N2O2.Nd/c1-5(2)7-8-6(3)4;2-3-1(4)5;/h5-6H,1-4H3;3H,2H2,(H,4,5);.
What are the key properties of hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane?
hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane has a molecular weight of 370.61 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane is sourced from PubChem (CID 158608952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).