1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene

C17H20OS — CID 174609091

IUPAC1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene
SMILESC=Cc1ccc(SC)cc1.CCOc1ccccc1
InChIInChI=1S/C9H10S.C8H10O/c1-3-8-4-6-9(10-2)7-5-8;1-2-9-8-6-4-3-5-7-8/h3-7H,1H2,2H3;3-7H,2H2,1H3
InChIKeyKIAZKGOYZACGJQ-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.14
Rot. Bonds4

About 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene

1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene (PubChem CID 174609091) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene
PubChem CID174609091
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene
SMILESC=Cc1ccc(SC)cc1.CCOc1ccccc1
InChIInChI=1S/C9H10S.C8H10O/c1-3-8-4-6-9(10-2)7-5-8;1-2-9-8-6-4-3-5-7-8/h3-7H,1H2,2H3;3-7H,2H2,1H3
InChIKeyKIAZKGOYZACGJQ-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10131479
4-Ethoxystilbene
CID 20245531
1-Iodo-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 65489349
3-Methoxy-4'-methylthio-trans-stilbene
CID 70695190
3,5-Dimethoxy-4'-methylthio-trans-stilbene
CID 70682594
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide
CID 9583267
Bis (4-methylphenyl)-
CID 140202473
S-(4-methylphenyl) (4-methoxyphenoxy)ethanethioate
CID 797378
S-(4-methylphenyl) (4-methylphenoxy)ethanethioate
CID 799745
S-(4-methylphenyl) (2-methylphenoxy)ethanethioate
CID 800081
(3-Phenoxy-propyl)-(2-p-tolylsulfanyl-ethyl)-amine
CID 10542345

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene?
The IUPAC name of 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene (CID 174609091) is 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene.
What is the SMILES notation for 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene?
The canonical SMILES for 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene is C=Cc1ccc(SC)cc1.CCOc1ccccc1.
What is the InChIKey of 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene?
The InChIKey is KIAZKGOYZACGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S.C8H10O/c1-3-8-4-6-9(10-2)7-5-8;1-2-9-8-6-4-3-5-7-8/h3-7H,1H2,2H3;3-7H,2H2,1H3.
What are the key properties of 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene?
1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene has a molecular weight of 272.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methylsulfanylbenzene;ethoxybenzene is sourced from PubChem (CID 174609091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).