2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate

C113H196O45S21 — CID 162003986

About 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate

2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate (PubChem CID 162003986) has the molecular formula C113H196O45S21 and a molecular weight of 2948.17 g/mol. Its IUPAC name is 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate.

Molecular Properties

• Compound Name: 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate
• PubChem CID: 162003986
• Molecular Formula: C113H196O45S21
• Molecular Weight: 2948.17 g/mol
• Exact Mass: 2944.72
• IUPAC Name: 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate
• SMILES: CCC(COC(=O)C(C)CS)(COC(=O)C(C)CS)COC(=O)C(C)CS.CCC(COC(=O)C(C)S)(COC(=O)C(C)S)COC(=O)C(C)S.CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS.CCC(COCC(CC)(COC(=O)C(C)S)COC(=O)C(C)S)(COC(=O)C(C)S)COC(=O)C(C)S.CCC(COCC(CC)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS.CCC(COCC(CC)(COC(=O)CS)COC(=O)CS)(COC(=O)CS)COC(=O)CS
• InChI: InChI=1S/2C24H42O9S4.C20H34O9S4.C18H32O6S3.C15H26O6S3.C12H20O6S3/c1-7-23(11-30-19(25)15(3)34,12-31-20(26)16(4)35)9-29-10-24(8-2,13-32-21(27)17(5)36)14-33-22(28)18(6)37;1-3-23(15-30-19(25)5-9-34,16-31-20(26)6-10-35)13-29-14-24(4-2,17-32-21(27)7-11-36)18-33-22(28)8-12-37;1-3-19(11-26-15(21)5-30,12-27-16(22)6-31)9-25-10-20(4-2,13-28-17(23)7-32)14-29-18(24)8-33;1-5-18(9-22-15(19)12(2)6-25,10-23-16(20)13(3)7-26)11-24-17(21)14(4)8-27;1-5-15(6-19-12(16)9(2)22,7-20-13(17)10(3)23)8-21-14(18)11(4)24;1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h15-18,34-37H,7-14H2,1-6H3;34-37H,3-18H2,1-2H3;30-33H,3-14H2,1-2H3;12-14,25-27H,5-11H2,1-4H3;9-11,22-24H,5-8H2,1-4H3;19-21H,2-8H2,1H3
• InChIKey: YSOWXDVGKYBYBS-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 579.99 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 66
• Rotatable Bonds: 91
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2948.17
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate?

The IUPAC name of 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate (CID 162003986) is 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate.

What is the SMILES notation for 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate?

The canonical SMILES for 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate is CCC(COC(=O)C(C)CS)(COC(=O)C(C)CS)COC(=O)C(C)CS.CCC(COC(=O)C(C)S)(COC(=O)C(C)S)COC(=O)C(C)S.CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS.CCC(COCC(CC)(COC(=O)C(C)S)COC(=O)C(C)S)(COC(=O)C(C)S)COC(=O)C(C)S.CCC(COCC(CC)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS.CCC(COCC(CC)(COC(=O)CS)COC(=O)CS)(COC(=O)CS)COC(=O)CS.

What is the InChIKey of 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate?

The InChIKey is YSOWXDVGKYBYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H42O9S4.C20H34O9S4.C18H32O6S3.C15H26O6S3.C12H20O6S3/c1-7-23(11-30-19(25)15(3)34,12-31-20(26)16(4)35)9-29-10-24(8-2,13-32-21(27)17(5)36)14-33-22(28)18(6)37;1-3-23(15-30-19(25)5-9-34,16-31-20(26)6-10-35)13-29-14-24(4-2,17-32-21(27)7-11-36)18-33-22(28)8-12-37;1-3-19(11-26-15(21)5-30,12-27-16(22)6-31)9-25-10-20(4-2,13-28-17(23)7-32)14-29-18(24)8-33;1-5-18(9-22-15(19)12(2)6-25,10-23-16(20)13(3)7-26)11-24-17(21)14(4)8-27;1-5-15(6-19-12(16)9(2)22,7-20-13(17)10(3)23)8-21-14(18)11(4)24;1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h15-18,34-37H,7-14H2,1-6H3;34-37H,3-18H2,1-2H3;30-33H,3-14H2,1-2H3;12-14,25-27H,5-11H2,1-4H3;9-11,22-24H,5-8H2,1-4H3;19-21H,2-8H2,1H3.

What are the key properties of 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate?

2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate has a molecular weight of 2948.17 g/mol, XLogP of 13.66, 91 rotatable bonds, 21 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis[(2-methyl-3-sulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-sulfanylpropanoate;[2-[2,2-bis[(2-sulfanylacetyl)oxymethyl]butoxymethyl]-2-[(2-sulfanylacetyl)oxymethyl]butyl] 2-sulfanylacetate;2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate;[2-[2,2-bis(2-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(2-sulfanylpropanoyloxymethyl)butyl] 2-sulfanylpropanoate;[2-[2,2-bis(3-sulfanylpropanoyloxymethyl)butoxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate;2,2-bis(2-sulfanylpropanoyloxymethyl)butyl 2-sulfanylpropanoate is sourced from PubChem (CID 162003986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).