CID 22156429

C4H8O3PbS — CID 22156429

IUPAC—
SMILESCCCC1OS1(=O)=O.[Pb]
InChIInChI=1S/C4H8O3S.Pb/c1-2-3-4-7-8(4,5)6;/h4H,2-3H2,1H3;
InChIKeyDQPSVOALXKJXGK-UHFFFAOYSA-N
MW343.37 g/mol
LogP0.09
Rot. Bonds2

About CID 22156429

CID 22156429 (PubChem CID 22156429) has the molecular formula C4H8O3PbS and a molecular weight of 343.37 g/mol.

Molecular Properties

Compound NameCID 22156429
PubChem CID22156429
Molecular FormulaC4H8O3PbS
Molecular Weight343.37 g/mol
Exact Mass344.00
IUPAC Name—
SMILESCCCC1OS1(=O)=O.[Pb]
InChIInChI=1S/C4H8O3S.Pb/c1-2-3-4-7-8(4,5)6;/h4H,2-3H2,1H3;
InChIKeyDQPSVOALXKJXGK-UHFFFAOYSA-N
XLogP0.09
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-Propanesulfonic acid, propyl ester
CID 152100
1-Propanesulfonic acid, ethyl ester
CID 150333
Butyl ethanesulfinate
CID 12497518
3-Ethyloxathiirane 2,2-dioxide
CID 20275129
1-Butanesulfonic acid, ethyl ester
CID 142758
Butyl cyclopropanesulfonate
CID 10464888
3-Propan-2-yloxathiirane 2,2-dioxide
CID 17830730
Propyl ethanesulfonate
CID 18755839
Propyl propane-2-sulfonate
CID 19702370
Butyl ethanesulfonate
CID 19702376
Ethyl propane-2-sulfonate
CID 19702386
Butyl propane-2-sulfonate
CID 19702394

Frequently Asked Questions

What is the IUPAC name of CID 22156429?
The IUPAC name of CID 22156429 (CID 22156429) is not available.
What is the SMILES notation for CID 22156429?
The canonical SMILES for CID 22156429 is CCCC1OS1(=O)=O.[Pb].
What is the InChIKey of CID 22156429?
The InChIKey is DQPSVOALXKJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.Pb/c1-2-3-4-7-8(4,5)6;/h4H,2-3H2,1H3;.
What are the key properties of CID 22156429?
CID 22156429 has a molecular weight of 343.37 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22156429 is sourced from PubChem (CID 22156429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).