[(Z)-2-ethoxyethenyl]sulfanylbenzene

C10H12OS — CID 11073997

IUPAC[(Z)-2-ethoxyethenyl]sulfanylbenzene
SMILESCCO/C=C\Sc1ccccc1
InChIInChI=1S/C10H12OS/c1-2-11-8-9-12-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
InChIKeyADNDITFFQYRIMW-HJWRWDBZSA-N
MW180.27 g/mol
LogP3.29
Rot. Bonds4

About [(Z)-2-ethoxyethenyl]sulfanylbenzene

[(Z)-2-ethoxyethenyl]sulfanylbenzene (PubChem CID 11073997) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is [(Z)-2-ethoxyethenyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-2-ethoxyethenyl]sulfanylbenzene
PubChem CID11073997
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name[(Z)-2-ethoxyethenyl]sulfanylbenzene
SMILESCCO/C=C\Sc1ccccc1
InChIInChI=1S/C10H12OS/c1-2-11-8-9-12-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
InChIKeyADNDITFFQYRIMW-HJWRWDBZSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Thioanisole
CID 7520
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
2-(Phenylthio)ethanol
CID 69685
Phenyl propyl sulfide
CID 13407
1-(Phenylthio)-2-propanol
CID 99788
Ethanethioic acid, S-phenyl ester
CID 13630
Phenyl vinyl sulphoxide
CID 88544
17277-58-6
CID 123375
Methoxymethyl Phenyl Sulfone
CID 366072
S-Allylthiobenzene
CID 79180
Acetic acid, (phenylthio)-, ethyl ester
CID 97312

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethoxyethenyl]sulfanylbenzene?
The IUPAC name of [(Z)-2-ethoxyethenyl]sulfanylbenzene (CID 11073997) is [(Z)-2-ethoxyethenyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-2-ethoxyethenyl]sulfanylbenzene?
The canonical SMILES for [(Z)-2-ethoxyethenyl]sulfanylbenzene is CCO/C=C\Sc1ccccc1.
What is the InChIKey of [(Z)-2-ethoxyethenyl]sulfanylbenzene?
The InChIKey is ADNDITFFQYRIMW-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H12OS/c1-2-11-8-9-12-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-.
What are the key properties of [(Z)-2-ethoxyethenyl]sulfanylbenzene?
[(Z)-2-ethoxyethenyl]sulfanylbenzene has a molecular weight of 180.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethoxyethenyl]sulfanylbenzene is sourced from PubChem (CID 11073997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).