oxovanadium(2+) diisothiocyanate

C2N2OS2V — CID 172695403

IUPACoxovanadium(2+) diisothiocyanate
SMILESO=[V+2].[N-]=C=S.[N-]=C=S
InChIInChI=1S/2CNS.O.V/c2*2-1-3;;/q2*-1;;+2
InChIKeyDCCZCTPKDLOBQP-UHFFFAOYSA-N
MW183.11 g/mol
LogP1.20
Rot. Bonds

About oxovanadium(2+) diisothiocyanate

oxovanadium(2+) diisothiocyanate (PubChem CID 172695403) has the molecular formula C2N2OS2V and a molecular weight of 183.11 g/mol. Its IUPAC name is oxovanadium(2+) diisothiocyanate.

Molecular Properties

Compound Nameoxovanadium(2+) diisothiocyanate
PubChem CID172695403
Molecular FormulaC2N2OS2V
Molecular Weight183.11 g/mol
Exact Mass182.89
IUPAC Nameoxovanadium(2+) diisothiocyanate
SMILESO=[V+2].[N-]=C=S.[N-]=C=S
InChIInChI=1S/2CNS.O.V/c2*2-1-3;;/q2*-1;;+2
InChIKeyDCCZCTPKDLOBQP-UHFFFAOYSA-N
XLogP1.20
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

erbium(3+) hexaisothiocyanate
CID 5250696
azanium;platinum;isothiocyanate
CID 173014927
potassium;gold(3+);diisothiocyanate
CID 158053993
sodium;cobalt;isothiocyanate
CID 87658497
magnesium;diisothiocyanate;tetrahydrate
CID 172682678
calcium;diisothiocyanate;tetrahydrate
CID 139206408
fluorotitanium(3+) pentaisothiocyanate
CID 23236533
chromium(2+);bis(propan-2-one);diisothiocyanate
CID 139137738
bis(3-azanidylpropylazanide);chromium;diisothiocyanate
CID 5257180
benzene;tin(2+);chloride;isothiocyanate
CID 171375433
disodium;hydrogen sulfate;isothiocyanate
CID 158966766
potassium;sodium;hydrogen sulfite;isothiocyanate
CID 163567600

Frequently Asked Questions

What is the IUPAC name of oxovanadium(2+) diisothiocyanate?
The IUPAC name of oxovanadium(2+) diisothiocyanate (CID 172695403) is oxovanadium(2+) diisothiocyanate.
What is the SMILES notation for oxovanadium(2+) diisothiocyanate?
The canonical SMILES for oxovanadium(2+) diisothiocyanate is O=[V+2].[N-]=C=S.[N-]=C=S.
What is the InChIKey of oxovanadium(2+) diisothiocyanate?
The InChIKey is DCCZCTPKDLOBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2CNS.O.V/c2*2-1-3;;/q2*-1;;+2.
What are the key properties of oxovanadium(2+) diisothiocyanate?
oxovanadium(2+) diisothiocyanate has a molecular weight of 183.11 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium(2+) diisothiocyanate is sourced from PubChem (CID 172695403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).