propa-1,2-dienylsulfinylbenzene

C9H8OS — CID 11367191

IUPACpropa-1,2-dienylsulfinylbenzene
SMILESC=C=CS(=O)c1ccccc1
InChIInChI=1S/C9H8OS/c1-2-8-11(10)9-6-4-3-5-7-9/h3-8H,1H2
InChIKeyDKYCBYPRNILVBN-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.09
Rot. Bonds2

About propa-1,2-dienylsulfinylbenzene

propa-1,2-dienylsulfinylbenzene (PubChem CID 11367191) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is propa-1,2-dienylsulfinylbenzene.

Molecular Properties

Compound Namepropa-1,2-dienylsulfinylbenzene
PubChem CID11367191
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Namepropa-1,2-dienylsulfinylbenzene
SMILESC=C=CS(=O)c1ccccc1
InChIInChI=1S/C9H8OS/c1-2-8-11(10)9-6-4-3-5-7-9/h3-8H,1H2
InChIKeyDKYCBYPRNILVBN-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(benzenesulfinyl)propa-1,2-dienylbenzene
CID 71447124
benzenesulfinylformaldehyde
CID 174391009
hepta-1,2-dienylsulfinylbenzene
CID 11470056
1-(benzenesulfinyl)ethenylsulfinylbenzene
CID 19348887
[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
CID 134889626
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
[(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene
CID 10561573
3-(benzenesulfinyl)hexa-4,5-dien-1-ol
CID 101143112
[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
4-(benzenesulfinyl)buta-1,3-dienylbenzene
CID 72756067
methyl (R)-benzenesulfinate
CID 11735002
(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol
CID 101088179

Frequently Asked Questions

What is the IUPAC name of propa-1,2-dienylsulfinylbenzene?
The IUPAC name of propa-1,2-dienylsulfinylbenzene (CID 11367191) is propa-1,2-dienylsulfinylbenzene.
What is the SMILES notation for propa-1,2-dienylsulfinylbenzene?
The canonical SMILES for propa-1,2-dienylsulfinylbenzene is C=C=CS(=O)c1ccccc1.
What is the InChIKey of propa-1,2-dienylsulfinylbenzene?
The InChIKey is DKYCBYPRNILVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c1-2-8-11(10)9-6-4-3-5-7-9/h3-8H,1H2.
What are the key properties of propa-1,2-dienylsulfinylbenzene?
propa-1,2-dienylsulfinylbenzene has a molecular weight of 164.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-dienylsulfinylbenzene is sourced from PubChem (CID 11367191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).