[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate

C10H10O4S2 — CID 142849680

IUPAC[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate
SMILESO=C(CS)Oc1ccc(OC(=O)CS)cc1
InChIInChI=1S/C10H10O4S2/c11-9(5-15)13-7-1-2-8(4-3-7)14-10(12)6-16/h1-4,15-16H,5-6H2
InChIKeyPVRPNJAGULIDEZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.36
Rot. Bonds4

About [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate

[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate (PubChem CID 142849680) has the molecular formula C10H10O4S2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate.

Molecular Properties

Compound Name[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate
PubChem CID142849680
Molecular FormulaC10H10O4S2
Molecular Weight258.32 g/mol
Exact Mass258.00
IUPAC Name[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate
SMILESO=C(CS)Oc1ccc(OC(=O)CS)cc1
InChIInChI=1S/C10H10O4S2/c11-9(5-15)13-7-1-2-8(4-3-7)14-10(12)6-16/h1-4,15-16H,5-6H2
InChIKeyPVRPNJAGULIDEZ-UHFFFAOYSA-N
XLogP1.36
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methoxyphenyl) propanedioate
CID 12000137
[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate
CID 68807016
bis(4-methylphenyl) butanedioate
CID 14740597
(3-chloro-5-methylphenyl) 2-sulfanylacetate
CID 88721452
bis(4-hydroxyphenyl) hexanedioate
CID 66769037
(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate
CID 25234030
bis(4-tert-butylphenyl) propanedioate
CID 56991121
bis(4-methylphenyl) hexanedioate
CID 521615
(2-phenyl-3H-benzimidazol-3-ium-5-yl) 2-sulfanylacetate
CID 168758013
bis(4-methoxyphenyl) octanedioate
CID 89115465
bis(4-methylsulfanylphenyl) butanedioate
CID 71384678
(4-methylphenyl) 2-methoxyacetate
CID 142940402

Frequently Asked Questions

What is the IUPAC name of [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate?
The IUPAC name of [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate (CID 142849680) is [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate.
What is the SMILES notation for [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate?
The canonical SMILES for [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate is O=C(CS)Oc1ccc(OC(=O)CS)cc1.
What is the InChIKey of [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate?
The InChIKey is PVRPNJAGULIDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S2/c11-9(5-15)13-7-1-2-8(4-3-7)14-10(12)6-16/h1-4,15-16H,5-6H2.
What are the key properties of [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate?
[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate has a molecular weight of 258.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate is sourced from PubChem (CID 142849680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).