disulfino (Z)-but-2-enedioate

C4H4O8S2 — CID 174905476

IUPACdisulfino (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OS(=O)O)OS(=O)O
InChIInChI=1S/C4H4O8S2/c5-3(11-13(7)8)1-2-4(6)12-14(9)10/h1-2H,(H,7,8)(H,9,10)/b2-1-
InChIKeyPSLMMKXTHRELIB-UPHRSURJSA-N
MW244.20 g/mol
LogP-1.10
Rot. Bonds4

About disulfino (Z)-but-2-enedioate

disulfino (Z)-but-2-enedioate (PubChem CID 174905476) has the molecular formula C4H4O8S2 and a molecular weight of 244.20 g/mol. Its IUPAC name is disulfino (Z)-but-2-enedioate.

Molecular Properties

Compound Namedisulfino (Z)-but-2-enedioate
PubChem CID174905476
Molecular FormulaC4H4O8S2
Molecular Weight244.20 g/mol
Exact Mass243.93
IUPAC Namedisulfino (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OS(=O)O)OS(=O)O
InChIInChI=1S/C4H4O8S2/c5-3(11-13(7)8)1-2-4(6)12-14(9)10/h1-2H,(H,7,8)(H,9,10)/b2-1-
InChIKeyPSLMMKXTHRELIB-UPHRSURJSA-N
XLogP-1.10
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-carboxyprop-2-enoyl] sulfite
CID 174386147
but-2-enoyl sulfite
CID 174598611
disulfino hexanedioate
CID 57040811
buta-1,3-dien-2-yl hydrogen sulfite
CID 141209681
ethyl sulfino carbonate
CID 57236503
(but-2-enoylamino) hydrogen sulfite
CID 174802642
(2E,4E)-2-[(Z)-prop-1-enyl]-4-sulfinooxyhexa-2,4-dienoic acid
CID 169241881
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
acetaldehyde;amino hydrogen sulfite
CID 87411142
bis(chloromethyl) but-2-enedioate
CID 57287087
sulfino 2-methylidenepent-4-enoate
CID 122573770
diiodo (Z)-but-2-enedioate
CID 159859279

Frequently Asked Questions

What is the IUPAC name of disulfino (Z)-but-2-enedioate?
The IUPAC name of disulfino (Z)-but-2-enedioate (CID 174905476) is disulfino (Z)-but-2-enedioate.
What is the SMILES notation for disulfino (Z)-but-2-enedioate?
The canonical SMILES for disulfino (Z)-but-2-enedioate is O=C(/C=C\C(=O)OS(=O)O)OS(=O)O.
What is the InChIKey of disulfino (Z)-but-2-enedioate?
The InChIKey is PSLMMKXTHRELIB-UPHRSURJSA-N. The full InChI is InChI=1S/C4H4O8S2/c5-3(11-13(7)8)1-2-4(6)12-14(9)10/h1-2H,(H,7,8)(H,9,10)/b2-1-.
What are the key properties of disulfino (Z)-but-2-enedioate?
disulfino (Z)-but-2-enedioate has a molecular weight of 244.20 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disulfino (Z)-but-2-enedioate is sourced from PubChem (CID 174905476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).