2-sulfinooxyprop-2-enoic acid

C3H4O5S — CID 57470506

IUPAC2-sulfinooxyprop-2-enoic acid
SMILESC=C(OS(=O)O)C(=O)O
InChIInChI=1S/C3H4O5S/c1-2(3(4)5)8-9(6)7/h1H2,(H,4,5)(H,6,7)
InChIKeyOACHQPYKYIPDTQ-UHFFFAOYSA-N
MW152.13 g/mol
LogP-0.26
Rot. Bonds3

About 2-sulfinooxyprop-2-enoic acid

2-sulfinooxyprop-2-enoic acid (PubChem CID 57470506) has the molecular formula C3H4O5S and a molecular weight of 152.13 g/mol. Its IUPAC name is 2-sulfinooxyprop-2-enoic acid.

Molecular Properties

Compound Name2-sulfinooxyprop-2-enoic acid
PubChem CID57470506
Molecular FormulaC3H4O5S
Molecular Weight152.13 g/mol
Exact Mass151.98
IUPAC Name2-sulfinooxyprop-2-enoic acid
SMILESC=C(OS(=O)O)C(=O)O
InChIInChI=1S/C3H4O5S/c1-2(3(4)5)8-9(6)7/h1H2,(H,4,5)(H,6,7)
InChIKeyOACHQPYKYIPDTQ-UHFFFAOYSA-N
XLogP-0.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

ethane;hydrogen sulfite;2-methylprop-2-enoic acid
CID 174520985
(3-amino-3-oxoprop-1-en-2-yl) sulfite
CID 143925160
sulfino 2-methylidenepent-4-enoate
CID 122573770
buta-1,3-dien-2-yl hydrogen sulfite
CID 141209681
disulfino (Z)-but-2-enedioate
CID 174905476
2-(sulfinoamino)prop-2-enoic acid
CID 91135550
1-hydroxyethenesulfinic acid
CID 58122076
carbamic acid;hydrogen sulfite;hydrochloride
CID 174945498
disulfino hexanedioate
CID 57040811
sodium 3-hydroxy-3-oxoprop-1-en-2-olate
CID 23681187
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
ethyl sulfino carbonate
CID 57236503

Frequently Asked Questions

What is the IUPAC name of 2-sulfinooxyprop-2-enoic acid?
The IUPAC name of 2-sulfinooxyprop-2-enoic acid (CID 57470506) is 2-sulfinooxyprop-2-enoic acid.
What is the SMILES notation for 2-sulfinooxyprop-2-enoic acid?
The canonical SMILES for 2-sulfinooxyprop-2-enoic acid is C=C(OS(=O)O)C(=O)O.
What is the InChIKey of 2-sulfinooxyprop-2-enoic acid?
The InChIKey is OACHQPYKYIPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O5S/c1-2(3(4)5)8-9(6)7/h1H2,(H,4,5)(H,6,7).
What are the key properties of 2-sulfinooxyprop-2-enoic acid?
2-sulfinooxyprop-2-enoic acid has a molecular weight of 152.13 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinooxyprop-2-enoic acid is sourced from PubChem (CID 57470506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).