2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid

C9H20O7S — CID 175590705

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid
SMILESCOC(O)COCCOCCO.O=C(O)CS
InChIInChI=1S/C7H16O5.C2H4O2S/c1-10-7(9)6-12-5-4-11-3-2-8;3-2(4)1-5/h7-9H,2-6H2,1H3;5H,1H2,(H,3,4)
InChIKeyKQSLTWRHOGRVRV-UHFFFAOYSA-N
MW272.32 g/mol
LogP-1.02
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid

2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid (PubChem CID 175590705) has the molecular formula C9H20O7S and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid
PubChem CID175590705
Molecular FormulaC9H20O7S
Molecular Weight272.32 g/mol
Exact Mass272.09
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid
SMILESCOC(O)COCCOCCO.O=C(O)CS
InChIInChI=1S/C7H16O5.C2H4O2S/c1-10-7(9)6-12-5-4-11-3-2-8;3-2(4)1-5/h7-9H,2-6H2,1H3;5H,1H2,(H,3,4)
InChIKeyKQSLTWRHOGRVRV-UHFFFAOYSA-N
XLogP-1.02
TPSA105.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;2-methylprop-2-enoic acid
CID 87255356
azane;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 90384460
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;oxirane-2-carboxylic acid
CID 88623730
[1-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]ethyl] acetate
CID 18377815
2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol
CID 87134161
decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
CID 175496624
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;nonyl prop-2-enoate
CID 175496640
2-adamantyl prop-2-enoate;2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 159534409
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88779964
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid (CID 175590705) is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid is COC(O)COCCOCCO.O=C(O)CS.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid?
The InChIKey is KQSLTWRHOGRVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5.C2H4O2S/c1-10-7(9)6-12-5-4-11-3-2-8;3-2(4)1-5/h7-9H,2-6H2,1H3;5H,1H2,(H,3,4).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid?
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid has a molecular weight of 272.32 g/mol, XLogP of -1.02, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid is sourced from PubChem (CID 175590705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).