[(Z)-2-ethylsulfinylethenyl]benzene

C10H12OS — CID 13227450

IUPAC[(Z)-2-ethylsulfinylethenyl]benzene
SMILESCCS(=O)/C=C\c1ccccc1
InChIInChI=1S/C10H12OS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
InChIKeyOTQRUXRUQFMWEO-HJWRWDBZSA-N
MW180.27 g/mol
LogP2.43
Rot. Bonds3

About [(Z)-2-ethylsulfinylethenyl]benzene

[(Z)-2-ethylsulfinylethenyl]benzene (PubChem CID 13227450) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is [(Z)-2-ethylsulfinylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-ethylsulfinylethenyl]benzene
PubChem CID13227450
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name[(Z)-2-ethylsulfinylethenyl]benzene
SMILESCCS(=O)/C=C\c1ccccc1
InChIInChI=1S/C10H12OS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
InChIKeyOTQRUXRUQFMWEO-HJWRWDBZSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;but-1-enylbenzene
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acetic acid;stilbene
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ethyl-dihydroxy-[(E)-2-phenylethenyl]silane
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1-ethoxy-4-(2-phenylethenyl)benzene
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1-ethyl-2-[(Z)-2-phenylethenyl]benzene
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ethanol;3-phenylprop-2-enoic acid
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2-[amino(dimethyl)silyl]ethenylbenzene
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CID 70569152
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CID 70567885
CID 70567885
3-methylidenehepta-1,5-dienylbenzene
CID 90998971
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CID 15971862

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylsulfinylethenyl]benzene?
The IUPAC name of [(Z)-2-ethylsulfinylethenyl]benzene (CID 13227450) is [(Z)-2-ethylsulfinylethenyl]benzene.
What is the SMILES notation for [(Z)-2-ethylsulfinylethenyl]benzene?
The canonical SMILES for [(Z)-2-ethylsulfinylethenyl]benzene is CCS(=O)/C=C\c1ccccc1.
What is the InChIKey of [(Z)-2-ethylsulfinylethenyl]benzene?
The InChIKey is OTQRUXRUQFMWEO-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H12OS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-.
What are the key properties of [(Z)-2-ethylsulfinylethenyl]benzene?
[(Z)-2-ethylsulfinylethenyl]benzene has a molecular weight of 180.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylsulfinylethenyl]benzene is sourced from PubChem (CID 13227450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).