(2E)-penta-2,4-diene-2-sulfinic acid

C5H8O2S — CID 145136507

IUPAC(2E)-penta-2,4-diene-2-sulfinic acid
SMILESC=C/C=C(\C)S(=O)O
InChIInChI=1S/C5H8O2S/c1-3-4-5(2)8(6)7/h3-4H,1H2,2H3,(H,6,7)/b5-4+
InChIKeyVTPJMVSEVPBJFN-SNAWJCMRSA-N
MW132.18 g/mol
LogP1.30
Rot. Bonds2

About (2E)-penta-2,4-diene-2-sulfinic acid

(2E)-penta-2,4-diene-2-sulfinic acid (PubChem CID 145136507) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is (2E)-penta-2,4-diene-2-sulfinic acid.

Molecular Properties

Compound Name(2E)-penta-2,4-diene-2-sulfinic acid
PubChem CID145136507
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name(2E)-penta-2,4-diene-2-sulfinic acid
SMILESC=C/C=C(\C)S(=O)O
InChIInChI=1S/C5H8O2S/c1-3-4-5(2)8(6)7/h3-4H,1H2,2H3,(H,6,7)/b5-4+
InChIKeyVTPJMVSEVPBJFN-SNAWJCMRSA-N
XLogP1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-(sulfinoamino)penta-1,3-diene
CID 156566229
(3E,5E)-6-chlorohepta-1,3,5-triene-3-sulfinic acid
CID 154972761
(3E)-4-(sulfinatoamino)penta-1,3-diene
CID 156566228
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
(2Z)-penta-2,4-diene-2-sulfonic acid
CID 18761983
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
2-[(2E)-penta-2,4-dien-2-yl]oxyacetic acid
CID 171093400
(3Z,5E)-4-methyl-5-nitrohepta-1,3,5-triene
CID 143929994
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
[(2Z)-penta-2,4-dien-2-yl]boronic acid
CID 89434988

Frequently Asked Questions

What is the IUPAC name of (2E)-penta-2,4-diene-2-sulfinic acid?
The IUPAC name of (2E)-penta-2,4-diene-2-sulfinic acid (CID 145136507) is (2E)-penta-2,4-diene-2-sulfinic acid.
What is the SMILES notation for (2E)-penta-2,4-diene-2-sulfinic acid?
The canonical SMILES for (2E)-penta-2,4-diene-2-sulfinic acid is C=C/C=C(\C)S(=O)O.
What is the InChIKey of (2E)-penta-2,4-diene-2-sulfinic acid?
The InChIKey is VTPJMVSEVPBJFN-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8O2S/c1-3-4-5(2)8(6)7/h3-4H,1H2,2H3,(H,6,7)/b5-4+.
What are the key properties of (2E)-penta-2,4-diene-2-sulfinic acid?
(2E)-penta-2,4-diene-2-sulfinic acid has a molecular weight of 132.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-penta-2,4-diene-2-sulfinic acid is sourced from PubChem (CID 145136507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).