calcium;hydride;sulfanylidenemethanone

CH2CaOS — CID 173323825

IUPACcalcium;hydride;sulfanylidenemethanone
SMILESO=C=S.[Ca+2].[H-].[H-]
InChIInChI=1S/COS.Ca.2H/c2-1-3;;;/q;+2;2*-1
InChIKeyWZXLVDSFXLDNPD-UHFFFAOYSA-N
MW102.17 g/mol
LogP0.10
Rot. Bonds

About calcium;hydride;sulfanylidenemethanone

calcium;hydride;sulfanylidenemethanone (PubChem CID 173323825) has the molecular formula CH2CaOS and a molecular weight of 102.17 g/mol. Its IUPAC name is calcium;hydride;sulfanylidenemethanone.

Molecular Properties

Compound Namecalcium;hydride;sulfanylidenemethanone
PubChem CID173323825
Molecular FormulaCH2CaOS
Molecular Weight102.17 g/mol
Exact Mass101.95
IUPAC Namecalcium;hydride;sulfanylidenemethanone
SMILESO=C=S.[Ca+2].[H-].[H-]
InChIInChI=1S/COS.Ca.2H/c2-1-3;;;/q;+2;2*-1
InChIKeyWZXLVDSFXLDNPD-UHFFFAOYSA-N
XLogP0.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.17
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;sulfanylidenemethanone?
The IUPAC name of calcium;hydride;sulfanylidenemethanone (CID 173323825) is calcium;hydride;sulfanylidenemethanone.
What is the SMILES notation for calcium;hydride;sulfanylidenemethanone?
The canonical SMILES for calcium;hydride;sulfanylidenemethanone is O=C=S.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;sulfanylidenemethanone?
The InChIKey is WZXLVDSFXLDNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/COS.Ca.2H/c2-1-3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;sulfanylidenemethanone?
calcium;hydride;sulfanylidenemethanone has a molecular weight of 102.17 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;sulfanylidenemethanone is sourced from PubChem (CID 173323825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).