3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol

C8H18O4S — CID 79682128

IUPAC3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
SMILESCOCCOCCSCC(O)CO
InChIInChI=1S/C8H18O4S/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8-10H,2-7H2,1H3
InChIKeyRIEXILNBJKSJKV-UHFFFAOYSA-N
MW210.29 g/mol
LogP-0.26
Rot. Bonds9

About 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol

3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol (PubChem CID 79682128) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
PubChem CID79682128
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
SMILESCOCCOCCSCC(O)CO
InChIInChI=1S/C8H18O4S/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8-10H,2-7H2,1H3
InChIKeyRIEXILNBJKSJKV-UHFFFAOYSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropan-1-ol
CID 66105162
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
3-[3-[2-[2-[2-[3-(2,2-dihydroxyethylsulfanyl)-2-(2,3-dihydroxypropylsulfanyl)propoxy]ethylsulfanyl]-3-(2-methoxyethoxy)propyl]sulfanylethoxy]-2-(2,3-dihydroxypropylsulfanyl)propyl]sulfanylpropane-1,2-diol
CID 130376509
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
3-[2-(2,3-dihydroxypropylsulfanyl)-3-(2-methoxyethoxy)propyl]sulfanylpropane-1,2-diol
CID 130376503
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
3-hydroxy-4-(2-methoxyethylsulfanyl)butanoic acid
CID 82775924
methyl 3-[2-hydroxy-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]sulfanylpropanoate
CID 157247547
1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63930065
2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol
CID 64821492
1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate
CID 155648006

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol (CID 79682128) is 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol is COCCOCCSCC(O)CO.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol?
The InChIKey is RIEXILNBJKSJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol?
3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol has a molecular weight of 210.29 g/mol, XLogP of -0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 79682128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).