carbonodithioic S,S-acid;neodymium

CH2NdOS2 — CID 87149190

IUPACcarbonodithioic S,S-acid;neodymium
SMILESO=C(S)S.[Nd]
InChIInChI=1S/CH2OS2.Nd/c2-1(3)4;/h(H2,2,3,4);
InChIKeyCUVAWIWXSOMLCM-UHFFFAOYSA-N
MW238.40 g/mol
LogP0.97
Rot. Bonds

About carbonodithioic S,S-acid;neodymium

carbonodithioic S,S-acid;neodymium (PubChem CID 87149190) has the molecular formula CH2NdOS2 and a molecular weight of 238.40 g/mol. Its IUPAC name is carbonodithioic S,S-acid;neodymium.

Molecular Properties

Compound Namecarbonodithioic S,S-acid;neodymium
PubChem CID87149190
Molecular FormulaCH2NdOS2
Molecular Weight238.40 g/mol
Exact Mass235.86
IUPAC Namecarbonodithioic S,S-acid;neodymium
SMILESO=C(S)S.[Nd]
InChIInChI=1S/CH2OS2.Nd/c2-1(3)4;/h(H2,2,3,4);
InChIKeyCUVAWIWXSOMLCM-UHFFFAOYSA-N
XLogP0.97
TPSA17.07 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonodithioic S,S-acid;neodymium?
The IUPAC name of carbonodithioic S,S-acid;neodymium (CID 87149190) is carbonodithioic S,S-acid;neodymium.
What is the SMILES notation for carbonodithioic S,S-acid;neodymium?
The canonical SMILES for carbonodithioic S,S-acid;neodymium is O=C(S)S.[Nd].
What is the InChIKey of carbonodithioic S,S-acid;neodymium?
The InChIKey is CUVAWIWXSOMLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2OS2.Nd/c2-1(3)4;/h(H2,2,3,4);.
What are the key properties of carbonodithioic S,S-acid;neodymium?
carbonodithioic S,S-acid;neodymium has a molecular weight of 238.40 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonodithioic S,S-acid;neodymium is sourced from PubChem (CID 87149190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).