methanethione;zinc

CH2SZn — CID 88724827

IUPACmethanethione;zinc
SMILESC=S.[Zn]
InChIInChI=1S/CH2S.Zn/c1-2;/h1H2;
InChIKeyNIOOLFMQZZFLTE-UHFFFAOYSA-N
MW111.48 g/mol
LogP0.61
Rot. Bonds

About methanethione;zinc

methanethione;zinc (PubChem CID 88724827) has the molecular formula CH2SZn and a molecular weight of 111.48 g/mol. Its IUPAC name is methanethione;zinc.

Molecular Properties

Compound Namemethanethione;zinc
PubChem CID88724827
Molecular FormulaCH2SZn
Molecular Weight111.48 g/mol
Exact Mass109.92
IUPAC Namemethanethione;zinc
SMILESC=S.[Zn]
InChIInChI=1S/CH2S.Zn/c1-2;/h1H2;
InChIKeyNIOOLFMQZZFLTE-UHFFFAOYSA-N
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.48
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanethione;zinc?
The IUPAC name of methanethione;zinc (CID 88724827) is methanethione;zinc.
What is the SMILES notation for methanethione;zinc?
The canonical SMILES for methanethione;zinc is C=S.[Zn].
What is the InChIKey of methanethione;zinc?
The InChIKey is NIOOLFMQZZFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2S.Zn/c1-2;/h1H2;.
What are the key properties of methanethione;zinc?
methanethione;zinc has a molecular weight of 111.48 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanethione;zinc is sourced from PubChem (CID 88724827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).