2-(carboxymethoxy)acetic acid;sulfane

C4H8O5S — CID 158807579

IUPAC2-(carboxymethoxy)acetic acid;sulfane
SMILESO=C(O)COCC(=O)O.S
InChIInChI=1S/C4H6O5.H2S/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H2
InChIKeyUXEIPXJBVYMRKX-UHFFFAOYSA-N
MW168.17 g/mol
LogP-0.71
Rot. Bonds4

About 2-(carboxymethoxy)acetic acid;sulfane

2-(carboxymethoxy)acetic acid;sulfane (PubChem CID 158807579) has the molecular formula C4H8O5S and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(carboxymethoxy)acetic acid;sulfane.

Molecular Properties

Compound Name2-(carboxymethoxy)acetic acid;sulfane
PubChem CID158807579
Molecular FormulaC4H8O5S
Molecular Weight168.17 g/mol
Exact Mass168.01
IUPAC Name2-(carboxymethoxy)acetic acid;sulfane
SMILESO=C(O)COCC(=O)O.S
InChIInChI=1S/C4H6O5.H2S/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H2
InChIKeyUXEIPXJBVYMRKX-UHFFFAOYSA-N
XLogP-0.71
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxy)acetic acid;sulfane?
The IUPAC name of 2-(carboxymethoxy)acetic acid;sulfane (CID 158807579) is 2-(carboxymethoxy)acetic acid;sulfane.
What is the SMILES notation for 2-(carboxymethoxy)acetic acid;sulfane?
The canonical SMILES for 2-(carboxymethoxy)acetic acid;sulfane is O=C(O)COCC(=O)O.S.
What is the InChIKey of 2-(carboxymethoxy)acetic acid;sulfane?
The InChIKey is UXEIPXJBVYMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.H2S/c5-3(6)1-9-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H2.
What are the key properties of 2-(carboxymethoxy)acetic acid;sulfane?
2-(carboxymethoxy)acetic acid;sulfane has a molecular weight of 168.17 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethoxy)acetic acid;sulfane is sourced from PubChem (CID 158807579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).