1-ethoxy-4-methoxysulfanylbenzene

C9H12O2S — CID 117035958

IUPAC1-ethoxy-4-methoxysulfanylbenzene
SMILESCCOc1ccc(SOC)cc1
InChIInChI=1S/C9H12O2S/c1-3-11-8-4-6-9(7-5-8)12-10-2/h4-7H,3H2,1-2H3
InChIKeyWSGUWOKNLXQSDC-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.74
Rot. Bonds4

About 1-ethoxy-4-methoxysulfanylbenzene

1-ethoxy-4-methoxysulfanylbenzene (PubChem CID 117035958) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-ethoxy-4-methoxysulfanylbenzene.

Molecular Properties

Compound Name1-ethoxy-4-methoxysulfanylbenzene
PubChem CID117035958
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name1-ethoxy-4-methoxysulfanylbenzene
SMILESCCOc1ccc(SOC)cc1
InChIInChI=1S/C9H12O2S/c1-3-11-8-4-6-9(7-5-8)12-10-2/h4-7H,3H2,1-2H3
InChIKeyWSGUWOKNLXQSDC-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(4-ethoxyphenyl)thiohydroxylamine
CID 117033765
1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene
CID 54464789
S-(4-ethoxyphenyl) methanethioate
CID 117033675
1-ethoxy-4-(phenylsulfanyloxymethyl)benzene
CID 19993322
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
N-[(4-ethoxyphenyl)sulfanylmethyl]propan-2-amine
CID 117032918
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
1-[bromo-(4-ethoxyphenyl)methyl]-4-methylsulfanylbenzene
CID 79217159
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
(4-ethoxyphenyl)-methoxytin
CID 175724555

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methoxysulfanylbenzene?
The IUPAC name of 1-ethoxy-4-methoxysulfanylbenzene (CID 117035958) is 1-ethoxy-4-methoxysulfanylbenzene.
What is the SMILES notation for 1-ethoxy-4-methoxysulfanylbenzene?
The canonical SMILES for 1-ethoxy-4-methoxysulfanylbenzene is CCOc1ccc(SOC)cc1.
What is the InChIKey of 1-ethoxy-4-methoxysulfanylbenzene?
The InChIKey is WSGUWOKNLXQSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-3-11-8-4-6-9(7-5-8)12-10-2/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethoxy-4-methoxysulfanylbenzene?
1-ethoxy-4-methoxysulfanylbenzene has a molecular weight of 184.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methoxysulfanylbenzene is sourced from PubChem (CID 117035958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).