1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate

C11H23O2S3- — CID 155648006

IUPAC1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate
SMILESCOCCOCCSCC(C)SCC(C)[S-]
InChIInChI=1S/C11H24O2S3/c1-10(14)8-16-11(2)9-15-7-6-13-5-4-12-3/h10-11,14H,4-9H2,1-3H3/p-1
InChIKeyITADENMYLFGYQT-UHFFFAOYSA-M
MW283.50 g/mol
LogP2.44
Rot. Bonds11

About 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate

1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate (PubChem CID 155648006) has the molecular formula C11H23O2S3- and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate.

Molecular Properties

Compound Name1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate
PubChem CID155648006
Molecular FormulaC11H23O2S3-
Molecular Weight283.50 g/mol
Exact Mass283.09
IUPAC Name1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate
SMILESCOCCOCCSCC(C)SCC(C)[S-]
InChIInChI=1S/C11H24O2S3/c1-10(14)8-16-11(2)9-15-7-6-13-5-4-12-3/h10-11,14H,4-9H2,1-3H3/p-1
InChIKeyITADENMYLFGYQT-UHFFFAOYSA-M
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-[2-[2-[2-(2-sulfidopropylsulfanyl)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate
CID 58351586
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3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
CID 66219333
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoate
CID 140815582
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CID 103180189
3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine
CID 66228363
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
CID 169283665
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate?
The IUPAC name of 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate (CID 155648006) is 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate.
What is the SMILES notation for 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate?
The canonical SMILES for 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate is COCCOCCSCC(C)SCC(C)[S-].
What is the InChIKey of 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate?
The InChIKey is ITADENMYLFGYQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24O2S3/c1-10(14)8-16-11(2)9-15-7-6-13-5-4-12-3/h10-11,14H,4-9H2,1-3H3/p-1.
What are the key properties of 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate?
1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate has a molecular weight of 283.50 g/mol, XLogP of 2.44, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate is sourced from PubChem (CID 155648006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).