2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate

C18H18O4S2 — CID 158542822

IUPAC2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
SMILESO=C(Cc1ccc(S)cc1)OCCOC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C18H18O4S2/c19-17(11-13-1-5-15(23)6-2-13)21-9-10-22-18(20)12-14-3-7-16(24)8-4-14/h1-8,23-24H,9-12H2
InChIKeyHOSUNWNPHYKYJN-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.14
Rot. Bonds7

About 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate

2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate (PubChem CID 158542822) has the molecular formula C18H18O4S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate.

Molecular Properties

Compound Name2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
PubChem CID158542822
Molecular FormulaC18H18O4S2
Molecular Weight362.47 g/mol
Exact Mass362.06
IUPAC Name2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
SMILESO=C(Cc1ccc(S)cc1)OCCOC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C18H18O4S2/c19-17(11-13-1-5-15(23)6-2-13)21-9-10-22-18(20)12-14-3-7-16(24)8-4-14/h1-8,23-24H,9-12H2
InChIKeyHOSUNWNPHYKYJN-UHFFFAOYSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropyl 2-(4-sulfanylphenyl)acetate
CID 107018241
cyclohexylmethyl 2-(4-sulfanylphenyl)acetate
CID 107018726
propyl 2-(4-butylphenyl)acetate
CID 112724824
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
CID 132581734
decyl 2-[4-(4-propylphenyl)phenyl]acetate
CID 121329523
2-[3-[2-[2-(4-aminophenyl)acetyl]oxyethoxy]-2,2-bis[2-[2-(4-aminophenyl)acetyl]oxyethoxymethyl]propoxy]ethyl 2-(4-aminophenyl)acetate
CID 59273590
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
pentan-2-yl 2-(4-sulfanylphenyl)acetate
CID 107019091
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate?
The IUPAC name of 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate (CID 158542822) is 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate.
What is the SMILES notation for 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate?
The canonical SMILES for 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate is O=C(Cc1ccc(S)cc1)OCCOC(=O)Cc1ccc(S)cc1.
What is the InChIKey of 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate?
The InChIKey is HOSUNWNPHYKYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4S2/c19-17(11-13-1-5-15(23)6-2-13)21-9-10-22-18(20)12-14-3-7-16(24)8-4-14/h1-8,23-24H,9-12H2.
What are the key properties of 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate?
2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate has a molecular weight of 362.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate is sourced from PubChem (CID 158542822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).