(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate

C12H10O4S2 — CID 24974935

IUPAC(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
SMILESCc1csc(C(=O)OOC(=O)c2cc(C)cs2)c1
InChIInChI=1S/C12H10O4S2/c1-7-3-9(17-5-7)11(13)15-16-12(14)10-4-8(2)6-18-10/h3-6H,1-2H3
InChIKeyVTOFZKSSBLYXJI-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.36
Rot. Bonds2

About (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate

(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate (PubChem CID 24974935) has the molecular formula C12H10O4S2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate.

Molecular Properties

Compound Name(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
PubChem CID24974935
Molecular FormulaC12H10O4S2
Molecular Weight282.34 g/mol
Exact Mass282.00
IUPAC Name(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
SMILESCc1csc(C(=O)OOC(=O)c2cc(C)cs2)c1
InChIInChI=1S/C12H10O4S2/c1-7-3-9(17-5-7)11(13)15-16-12(14)10-4-8(2)6-18-10/h3-6H,1-2H3
InChIKeyVTOFZKSSBLYXJI-UHFFFAOYSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

amino 4-methylthiophene-2-carboxylate
CID 175241543
(4-methylthiophen-2-yl)-[2,3,4-tris(4-methylthiophene-2-carbonyl)cyclobutyl]methanone
CID 101434742
1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 59450303
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
2-(4-methylthiophene-2-carbonyl)propanedinitrile
CID 130992381
(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone
CID 130719213
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
4-methyl-2-(3-methylbut-1-en-2-yl)thiophene
CID 126628471
2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
CID 110836780
2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
CID 130767597
N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
CID 130835210

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate?
The IUPAC name of (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate (CID 24974935) is (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate.
What is the SMILES notation for (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate?
The canonical SMILES for (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate is Cc1csc(C(=O)OOC(=O)c2cc(C)cs2)c1.
What is the InChIKey of (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate?
The InChIKey is VTOFZKSSBLYXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S2/c1-7-3-9(17-5-7)11(13)15-16-12(14)10-4-8(2)6-18-10/h3-6H,1-2H3.
What are the key properties of (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate?
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate has a molecular weight of 282.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate is sourced from PubChem (CID 24974935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).