molybdenum;zinc;carbamodithioate

CH2MoNS2Zn- — CID 174974213

IUPACmolybdenum;zinc;carbamodithioate
SMILESNC(=S)[S-].[Mo].[Zn]
InChIInChI=1S/CH3NS2.Mo.Zn/c2-1(3)4;;/h(H3,2,3,4);;/p-1
InChIKeyPBPQBHLIKCWRDB-UHFFFAOYSA-M
MW253.50 g/mol
LogP-0.23
Rot. Bonds

About molybdenum;zinc;carbamodithioate

molybdenum;zinc;carbamodithioate (PubChem CID 174974213) has the molecular formula CH2MoNS2Zn- and a molecular weight of 253.50 g/mol. Its IUPAC name is molybdenum;zinc;carbamodithioate.

Molecular Properties

Compound Namemolybdenum;zinc;carbamodithioate
PubChem CID174974213
Molecular FormulaCH2MoNS2Zn-
Molecular Weight253.50 g/mol
Exact Mass253.80
IUPAC Namemolybdenum;zinc;carbamodithioate
SMILESNC(=S)[S-].[Mo].[Zn]
InChIInChI=1S/CH3NS2.Mo.Zn/c2-1(3)4;;/h(H3,2,3,4);;/p-1
InChIKeyPBPQBHLIKCWRDB-UHFFFAOYSA-M
XLogP-0.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molybdenum carbamodithioate
CID 141150740
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
gold(1+) carbamodithioate
CID 118378800
magnesium dicarbamodithioate
CID 23080754
ethane;iron(3+);carbamodithioate
CID 175496222
bis(carbamodithioic acid);molybdenum(4+);sulfane;tetracarbamodithioate
CID 172856917
zinc;ethane;lanthanum(3+);tricarbamodithioate
CID 175530915
disodium;ethanebis(dithioate)
CID 87697624
sodium;carbamodithioic acid;hydride
CID 173103786
sodium sulfaniumylmethanedithioate
CID 59660069
sodium;1-methylpiperazine;carbamodithioate
CID 23667321
bis(carbamodithioic acid);bis(iminomethanedithiolate);molybdenum(4+)
CID 170850378

Frequently Asked Questions

What is the IUPAC name of molybdenum;zinc;carbamodithioate?
The IUPAC name of molybdenum;zinc;carbamodithioate (CID 174974213) is molybdenum;zinc;carbamodithioate.
What is the SMILES notation for molybdenum;zinc;carbamodithioate?
The canonical SMILES for molybdenum;zinc;carbamodithioate is NC(=S)[S-].[Mo].[Zn].
What is the InChIKey of molybdenum;zinc;carbamodithioate?
The InChIKey is PBPQBHLIKCWRDB-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NS2.Mo.Zn/c2-1(3)4;;/h(H3,2,3,4);;/p-1.
What are the key properties of molybdenum;zinc;carbamodithioate?
molybdenum;zinc;carbamodithioate has a molecular weight of 253.50 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;zinc;carbamodithioate is sourced from PubChem (CID 174974213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).