2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate

C10H18O4S2 — CID 15752074

IUPAC2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate
SMILESCC(S)CC(=O)OCCOC(=O)CC(C)S
InChIInChI=1S/C10H18O4S2/c1-7(15)5-9(11)13-3-4-14-10(12)6-8(2)16/h7-8,15-16H,3-6H2,1-2H3
InChIKeyTXJZAWRTHMZECY-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.49
Rot. Bonds7

About 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate

2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate (PubChem CID 15752074) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate.

Molecular Properties

Compound Name2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate
PubChem CID15752074
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Name2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate
SMILESCC(S)CC(=O)OCCOC(=O)CC(C)S
InChIInChI=1S/C10H18O4S2/c1-7(15)5-9(11)13-3-4-14-10(12)6-8(2)16/h7-8,15-16H,3-6H2,1-2H3
InChIKeyTXJZAWRTHMZECY-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.49
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'}

Analyze 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethylene bis(3-mercaptopropionate)
CID 89735
Dibutyl 2,2'-dithiodiacetate
CID 90308
2,3-Bis(sulfanyl)propyl butanoate
CID 57544
Ethylene glycol, ((dibutylstannylene)dithio)diacetate
CID 9575995
Propanoic acid, 3,3'-dithiobis-, 1,1'-diethyl ester
CID 74161
Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester
CID 97984
1,4-Bis(3-mercaptobutyryloxy) butane
CID 57469275
Propanoic acid, 3-mercapto-, 1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester
CID 111689
Acetic acid, 2-mercapto-, 2-butoxyethyl ester
CID 117979
Dipropyl 2,3-bis(sulfanyl)butanedioate
CID 359911
Diethyl 2,3-bis(sulfanyl)butanedioate
CID 10082926
Dimethyl 2,2'-dithiodibutyrate
CID 23335941

Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate?
The IUPAC name of 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate (CID 15752074) is 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate.
What is the SMILES notation for 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate?
The canonical SMILES for 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate is CC(S)CC(=O)OCCOC(=O)CC(C)S.
What is the InChIKey of 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate?
The InChIKey is TXJZAWRTHMZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S2/c1-7(15)5-9(11)13-3-4-14-10(12)6-8(2)16/h7-8,15-16H,3-6H2,1-2H3.
What are the key properties of 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate?
2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate has a molecular weight of 266.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate is sourced from PubChem (CID 15752074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).