molybdenum carbamodithioate

CH2MoNS2- — CID 141150740

IUPACmolybdenum carbamodithioate
SMILESNC(=S)[S-].[Mo]
InChIInChI=1S/CH3NS2.Mo/c2-1(3)4;/h(H3,2,3,4);/p-1
InChIKeyQZDDKPARGYGUHP-UHFFFAOYSA-M
MW188.11 g/mol
LogP-0.23
Rot. Bonds

About molybdenum carbamodithioate

molybdenum carbamodithioate (PubChem CID 141150740) has the molecular formula CH2MoNS2- and a molecular weight of 188.11 g/mol. Its IUPAC name is molybdenum carbamodithioate.

Molecular Properties

Compound Namemolybdenum carbamodithioate
PubChem CID141150740
Molecular FormulaCH2MoNS2-
Molecular Weight188.11 g/mol
Exact Mass189.87
IUPAC Namemolybdenum carbamodithioate
SMILESNC(=S)[S-].[Mo]
InChIInChI=1S/CH3NS2.Mo/c2-1(3)4;/h(H3,2,3,4);/p-1
InChIKeyQZDDKPARGYGUHP-UHFFFAOYSA-M
XLogP-0.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molybdenum carbamodithioate?
The IUPAC name of molybdenum carbamodithioate (CID 141150740) is molybdenum carbamodithioate.
What is the SMILES notation for molybdenum carbamodithioate?
The canonical SMILES for molybdenum carbamodithioate is NC(=S)[S-].[Mo].
What is the InChIKey of molybdenum carbamodithioate?
The InChIKey is QZDDKPARGYGUHP-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NS2.Mo/c2-1(3)4;/h(H3,2,3,4);/p-1.
What are the key properties of molybdenum carbamodithioate?
molybdenum carbamodithioate has a molecular weight of 188.11 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 carbamodithioate is sourced from PubChem (CID 141150740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).