phenyl hydrogen carbonate;sulfur dioxide

C7H6O5S — CID 67864453

IUPACphenyl hydrogen carbonate;sulfur dioxide
SMILESO=C(O)Oc1ccccc1.O=S=O
InChIInChI=1S/C7H6O3.O2S/c8-7(9)10-6-4-2-1-3-5-6;1-3-2/h1-5H,(H,8,9);
InChIKeyGQQPNKVLBDPEMF-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.07
Rot. Bonds1

About phenyl hydrogen carbonate;sulfur dioxide

phenyl hydrogen carbonate;sulfur dioxide (PubChem CID 67864453) has the molecular formula C7H6O5S and a molecular weight of 202.19 g/mol. Its IUPAC name is phenyl hydrogen carbonate;sulfur dioxide.

Molecular Properties

Compound Namephenyl hydrogen carbonate;sulfur dioxide
PubChem CID67864453
Molecular FormulaC7H6O5S
Molecular Weight202.19 g/mol
Exact Mass201.99
IUPAC Namephenyl hydrogen carbonate;sulfur dioxide
SMILESO=C(O)Oc1ccccc1.O=S=O
InChIInChI=1S/C7H6O3.O2S/c8-7(9)10-6-4-2-1-3-5-6;1-3-2/h1-5H,(H,8,9);
InChIKeyGQQPNKVLBDPEMF-UHFFFAOYSA-N
XLogP1.07
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;phenyl acetate;sulfur dioxide
CID 172838332
phenol;phenyl hydrogen carbonate
CID 23470013
phenyl acetate;hydroiodide
CID 172788123
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
sodium;hydride;phenyl acetate
CID 159991718
lithium;hydride;phenyl acetate
CID 173276859
diphenyl oxalate;ethane
CID 162013592
phenoxybenzene;phenyl acetate
CID 159251324
diphenyl carbonate;phenyl acetate
CID 90936233
2-methoxybenzoic acid;phenyl hydrogen carbonate
CID 66629291
disodium phenyl carbonate
CID 175143803
iron;phenyl carbonochloridate
CID 159914445

Frequently Asked Questions

What is the IUPAC name of phenyl hydrogen carbonate;sulfur dioxide?
The IUPAC name of phenyl hydrogen carbonate;sulfur dioxide (CID 67864453) is phenyl hydrogen carbonate;sulfur dioxide.
What is the SMILES notation for phenyl hydrogen carbonate;sulfur dioxide?
The canonical SMILES for phenyl hydrogen carbonate;sulfur dioxide is O=C(O)Oc1ccccc1.O=S=O.
What is the InChIKey of phenyl hydrogen carbonate;sulfur dioxide?
The InChIKey is GQQPNKVLBDPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.O2S/c8-7(9)10-6-4-2-1-3-5-6;1-3-2/h1-5H,(H,8,9);.
What are the key properties of phenyl hydrogen carbonate;sulfur dioxide?
phenyl hydrogen carbonate;sulfur dioxide has a molecular weight of 202.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl hydrogen carbonate;sulfur dioxide is sourced from PubChem (CID 67864453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).