CID 159208506

CaO2S — CID 159208506

IUPAC—
SMILESO=S=O.[Ca]
InChIInChI=1S/Ca.O2S/c;1-3-2
InChIKeyKQEODPNNXMKKIR-UHFFFAOYSA-N
MW104.14 g/mol
LogP-1.05
Rot. Bonds

About CID 159208506

CID 159208506 (PubChem CID 159208506) has the molecular formula CaO2S and a molecular weight of 104.14 g/mol.

Molecular Properties

Compound NameCID 159208506
PubChem CID159208506
Molecular FormulaCaO2S
Molecular Weight104.14 g/mol
Exact Mass103.92
IUPAC Name—
SMILESO=S=O.[Ca]
InChIInChI=1S/Ca.O2S/c;1-3-2
InChIKeyKQEODPNNXMKKIR-UHFFFAOYSA-N
XLogP-1.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.14
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 159208506?
The IUPAC name of CID 159208506 (CID 159208506) is not available.
What is the SMILES notation for CID 159208506?
The canonical SMILES for CID 159208506 is O=S=O.[Ca].
What is the InChIKey of CID 159208506?
The InChIKey is KQEODPNNXMKKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O2S/c;1-3-2.
What are the key properties of CID 159208506?
CID 159208506 has a molecular weight of 104.14 g/mol, XLogP of -1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159208506 is sourced from PubChem (CID 159208506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).