ethanesulfonic acid;urea

C3H10N2O4S — CID 159375044

IUPACethanesulfonic acid;urea
SMILESCCS(=O)(=O)O.NC(N)=O
InChIInChI=1S/C2H6O3S.CH4N2O/c1-2-6(3,4)5;2-1(3)4/h2H2,1H3,(H,3,4,5);(H4,2,3,4)
InChIKeyLKFAOIUULBPANX-UHFFFAOYSA-N
MW170.19 g/mol
LogP-1.08
Rot. Bonds1

About ethanesulfonic acid;urea

ethanesulfonic acid;urea (PubChem CID 159375044) has the molecular formula C3H10N2O4S and a molecular weight of 170.19 g/mol. Its IUPAC name is ethanesulfonic acid;urea.

Molecular Properties

Compound Nameethanesulfonic acid;urea
PubChem CID159375044
Molecular FormulaC3H10N2O4S
Molecular Weight170.19 g/mol
Exact Mass170.04
IUPAC Nameethanesulfonic acid;urea
SMILESCCS(=O)(=O)O.NC(N)=O
InChIInChI=1S/C2H6O3S.CH4N2O/c1-2-6(3,4)5;2-1(3)4/h2H2,1H3,(H,3,4,5);(H4,2,3,4)
InChIKeyLKFAOIUULBPANX-UHFFFAOYSA-N
XLogP-1.08
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;urea?
The IUPAC name of ethanesulfonic acid;urea (CID 159375044) is ethanesulfonic acid;urea.
What is the SMILES notation for ethanesulfonic acid;urea?
The canonical SMILES for ethanesulfonic acid;urea is CCS(=O)(=O)O.NC(N)=O.
What is the InChIKey of ethanesulfonic acid;urea?
The InChIKey is LKFAOIUULBPANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.CH4N2O/c1-2-6(3,4)5;2-1(3)4/h2H2,1H3,(H,3,4,5);(H4,2,3,4).
What are the key properties of ethanesulfonic acid;urea?
ethanesulfonic acid;urea has a molecular weight of 170.19 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;urea is sourced from PubChem (CID 159375044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).