carbamodithioic acid;oxomolybdenum;sulfane

CH5MoNOS3 — CID 174360414

IUPACcarbamodithioic acid;oxomolybdenum;sulfane
SMILESNC(=S)S.O=[Mo].S
InChIInChI=1S/CH3NS2.Mo.O.H2S/c2-1(3)4;;;/h(H3,2,3,4);;;1H2
InChIKeyAEQOQJNZERPYBW-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.15
Rot. Bonds

About carbamodithioic acid;oxomolybdenum;sulfane

carbamodithioic acid;oxomolybdenum;sulfane (PubChem CID 174360414) has the molecular formula CH5MoNOS3 and a molecular weight of 239.20 g/mol. Its IUPAC name is carbamodithioic acid;oxomolybdenum;sulfane.

Molecular Properties

Compound Namecarbamodithioic acid;oxomolybdenum;sulfane
PubChem CID174360414
Molecular FormulaCH5MoNOS3
Molecular Weight239.20 g/mol
Exact Mass240.86
IUPAC Namecarbamodithioic acid;oxomolybdenum;sulfane
SMILESNC(=S)S.O=[Mo].S
InChIInChI=1S/CH3NS2.Mo.O.H2S/c2-1(3)4;;;/h(H3,2,3,4);;;1H2
InChIKeyAEQOQJNZERPYBW-UHFFFAOYSA-N
XLogP0.15
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;oxomolybdenum;sulfane?
The IUPAC name of carbamodithioic acid;oxomolybdenum;sulfane (CID 174360414) is carbamodithioic acid;oxomolybdenum;sulfane.
What is the SMILES notation for carbamodithioic acid;oxomolybdenum;sulfane?
The canonical SMILES for carbamodithioic acid;oxomolybdenum;sulfane is NC(=S)S.O=[Mo].S.
What is the InChIKey of carbamodithioic acid;oxomolybdenum;sulfane?
The InChIKey is AEQOQJNZERPYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.Mo.O.H2S/c2-1(3)4;;;/h(H3,2,3,4);;;1H2.
What are the key properties of carbamodithioic acid;oxomolybdenum;sulfane?
carbamodithioic acid;oxomolybdenum;sulfane has a molecular weight of 239.20 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;oxomolybdenum;sulfane is sourced from PubChem (CID 174360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).