cerium;dimethylcarbamodithioic acid

C3H7CeNS2 — CID 174758864

IUPACcerium;dimethylcarbamodithioic acid
SMILESCN(C)C(=S)S.[Ce]
InChIInChI=1S/C3H7NS2.Ce/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
InChIKeyBTXYFQUEXQGNFK-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.76
Rot. Bonds

About cerium;dimethylcarbamodithioic acid

cerium;dimethylcarbamodithioic acid (PubChem CID 174758864) has the molecular formula C3H7CeNS2 and a molecular weight of 261.35 g/mol. Its IUPAC name is cerium;dimethylcarbamodithioic acid.

Molecular Properties

Compound Namecerium;dimethylcarbamodithioic acid
PubChem CID174758864
Molecular FormulaC3H7CeNS2
Molecular Weight261.35 g/mol
Exact Mass260.91
IUPAC Namecerium;dimethylcarbamodithioic acid
SMILESCN(C)C(=S)S.[Ce]
InChIInChI=1S/C3H7NS2.Ce/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
InChIKeyBTXYFQUEXQGNFK-UHFFFAOYSA-N
XLogP0.76
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 54599967
CID 54599967
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
sodium dimethylcarbamodithioic acid
CID 19877808
disodium;dimethylcarbamodithioic acid;hydride
CID 174615347
carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc
CID 173305177
dimethylcarbamodithioic acid;prop-2-enenitrile
CID 175475389
dimethylamino(methyl)carbamodithioic acid
CID 18736477
zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium
CID 86735534
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200
methoxy(methyl)carbamodithioic acid
CID 14839544
bis(2-hydroxyethyl)carbamodithioic acid;ethane
CID 163298580
dimethylcarbamodithioic acid;3-(3-sulfopropyldisulfanyl)propane-1-sulfonic acid
CID 161081392

Frequently Asked Questions

What is the IUPAC name of cerium;dimethylcarbamodithioic acid?
The IUPAC name of cerium;dimethylcarbamodithioic acid (CID 174758864) is cerium;dimethylcarbamodithioic acid.
What is the SMILES notation for cerium;dimethylcarbamodithioic acid?
The canonical SMILES for cerium;dimethylcarbamodithioic acid is CN(C)C(=S)S.[Ce].
What is the InChIKey of cerium;dimethylcarbamodithioic acid?
The InChIKey is BTXYFQUEXQGNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.Ce/c1-4(2)3(5)6;/h1-2H3,(H,5,6);.
What are the key properties of cerium;dimethylcarbamodithioic acid?
cerium;dimethylcarbamodithioic acid has a molecular weight of 261.35 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;dimethylcarbamodithioic acid is sourced from PubChem (CID 174758864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).