benzenesulfinylformaldehyde

C7H6O2S — CID 174391009

IUPACbenzenesulfinylformaldehyde
SMILESO=CS(=O)c1ccccc1
InChIInChI=1S/C7H6O2S/c8-6-10(9)7-4-2-1-3-5-7/h1-6H
InChIKeyBPNDHIZWRHDJHT-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.98
Rot. Bonds2

About benzenesulfinylformaldehyde

benzenesulfinylformaldehyde (PubChem CID 174391009) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is benzenesulfinylformaldehyde.

Molecular Properties

Compound Namebenzenesulfinylformaldehyde
PubChem CID174391009
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Namebenzenesulfinylformaldehyde
SMILESO=CS(=O)c1ccccc1
InChIInChI=1S/C7H6O2S/c8-6-10(9)7-4-2-1-3-5-7/h1-6H
InChIKeyBPNDHIZWRHDJHT-UHFFFAOYSA-N
XLogP0.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzenesulfinylformaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propa-1,2-dienylsulfinylbenzene
CID 11367191
[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
CID 134889626
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
3-(benzenesulfinyl)propa-1,2-dienylbenzene
CID 71447124
[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
4-(benzenesulfinyl)buta-1,3-dienylbenzene
CID 72756067
4-(benzenesulfinyl)benzaldehyde
CID 11031685
(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol
CID 101088179
(E)-4-(benzenesulfinyl)-3-bromo-2-methylbut-3-en-2-ol
CID 134935679
1-[2-(benzenesulfinyl)ethenyl]-4-chlorobenzene
CID 819546
1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
CID 819537
magnesium benzenesulfinate
CID 68530435

Frequently Asked Questions

What is the IUPAC name of benzenesulfinylformaldehyde?
The IUPAC name of benzenesulfinylformaldehyde (CID 174391009) is benzenesulfinylformaldehyde.
What is the SMILES notation for benzenesulfinylformaldehyde?
The canonical SMILES for benzenesulfinylformaldehyde is O=CS(=O)c1ccccc1.
What is the InChIKey of benzenesulfinylformaldehyde?
The InChIKey is BPNDHIZWRHDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c8-6-10(9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of benzenesulfinylformaldehyde?
benzenesulfinylformaldehyde has a molecular weight of 154.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinylformaldehyde is sourced from PubChem (CID 174391009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).