calcium;phosphane;sulfide

H3CaPS — CID 172734156

IUPACcalcium;phosphane;sulfide
SMILESP.[Ca+2].[S-2]
InChIInChI=1S/Ca.H3P.S/h;1H3;/q+2;;-2
InChIKeyIEWCEAWMRUMAMF-UHFFFAOYSA-N
MW106.14 g/mol
LogP-0.33
Rot. Bonds

About calcium;phosphane;sulfide

calcium;phosphane;sulfide (PubChem CID 172734156) has the molecular formula H3CaPS and a molecular weight of 106.14 g/mol. Its IUPAC name is calcium;phosphane;sulfide.

Molecular Properties

Compound Namecalcium;phosphane;sulfide
PubChem CID172734156
Molecular FormulaH3CaPS
Molecular Weight106.14 g/mol
Exact Mass105.93
IUPAC Namecalcium;phosphane;sulfide
SMILESP.[Ca+2].[S-2]
InChIInChI=1S/Ca.H3P.S/h;1H3;/q+2;;-2
InChIKeyIEWCEAWMRUMAMF-UHFFFAOYSA-N
XLogP-0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 172757405
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CID 172824556
chromium;molybdenum;trisulfide
CID 173399151
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CID 20977662
molybdenum;nickel;phosphane;zinc
CID 175237508
hydron;phosphane;silane;sulfide
CID 173337292

Frequently Asked Questions

What is the IUPAC name of calcium;phosphane;sulfide?
The IUPAC name of calcium;phosphane;sulfide (CID 172734156) is calcium;phosphane;sulfide.
What is the SMILES notation for calcium;phosphane;sulfide?
The canonical SMILES for calcium;phosphane;sulfide is P.[Ca+2].[S-2].
What is the InChIKey of calcium;phosphane;sulfide?
The InChIKey is IEWCEAWMRUMAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H3P.S/h;1H3;/q+2;;-2.
What are the key properties of calcium;phosphane;sulfide?
calcium;phosphane;sulfide has a molecular weight of 106.14 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;phosphane;sulfide is sourced from PubChem (CID 172734156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).