molybdenum;thiocyanic acid

CHMoNS — CID 87140059

IUPACmolybdenum;thiocyanic acid
SMILESN#CS.[Mo]
InChIInChI=1S/CHNS.Mo/c2-1-3;/h3H;
InChIKeyMMQPPWYCXRNXPB-UHFFFAOYSA-N
MW155.03 g/mol
LogP0.39
Rot. Bonds

About molybdenum;thiocyanic acid

molybdenum;thiocyanic acid (PubChem CID 87140059) has the molecular formula CHMoNS and a molecular weight of 155.03 g/mol. Its IUPAC name is molybdenum;thiocyanic acid.

Molecular Properties

Compound Namemolybdenum;thiocyanic acid
PubChem CID87140059
Molecular FormulaCHMoNS
Molecular Weight155.03 g/mol
Exact Mass156.89
IUPAC Namemolybdenum;thiocyanic acid
SMILESN#CS.[Mo]
InChIInChI=1S/CHNS.Mo/c2-1-3;/h3H;
InChIKeyMMQPPWYCXRNXPB-UHFFFAOYSA-N
XLogP0.39
TPSA23.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.03
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174791541
azane;thiocyanic acid;zinc
CID 88760762
trisodium;hydride;thiocyanic acid
CID 174868626
lithium;hydride;hydron;thiocyanic acid
CID 174838780
methanol;thiocyanic acid;dihydrochloride
CID 172721148
calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane;thiocyanic acid
CID 173084181

Frequently Asked Questions

What is the IUPAC name of molybdenum;thiocyanic acid?
The IUPAC name of molybdenum;thiocyanic acid (CID 87140059) is molybdenum;thiocyanic acid.
What is the SMILES notation for molybdenum;thiocyanic acid?
The canonical SMILES for molybdenum;thiocyanic acid is N#CS.[Mo].
What is the InChIKey of molybdenum;thiocyanic acid?
The InChIKey is MMQPPWYCXRNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Mo/c2-1-3;/h3H;.
What are the key properties of molybdenum;thiocyanic acid?
molybdenum;thiocyanic acid has a molecular weight of 155.03 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;thiocyanic acid is sourced from PubChem (CID 87140059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).