(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone

C10H10Br2O3S2 — CID 104518083

IUPAC(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCCS1(=O)=O
InChIInChI=1S/C10H10Br2O3S2/c11-8-5-6(10(12)16-8)9(13)7-3-1-2-4-17(7,14)15/h5,7H,1-4H2
InChIKeyFPUPWFHNQVHBTN-UHFFFAOYSA-N
MW402.13 g/mol
LogP3.42
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone

(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone (PubChem CID 104518083) has the molecular formula C10H10Br2O3S2 and a molecular weight of 402.13 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone
PubChem CID104518083
Molecular FormulaC10H10Br2O3S2
Molecular Weight402.13 g/mol
Exact Mass399.84
IUPAC Name(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCCS1(=O)=O
InChIInChI=1S/C10H10Br2O3S2/c11-8-5-6(10(12)16-8)9(13)7-3-1-2-4-17(7,14)15/h5,7H,1-4H2
InChIKeyFPUPWFHNQVHBTN-UHFFFAOYSA-N
XLogP3.42
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538
(1,1-dioxothian-2-yl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349402
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(1,1-dioxothian-2-yl)methanone
CID 106884916
(1,1-dioxothian-2-yl)-(2,4,6-trichlorophenyl)methanone
CID 105349073
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43344907
(1,1-dioxothian-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757195
2-(cycloheptylmethoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 114248654
(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
CID 81329910
(1,1-dioxothian-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106876995
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79758228

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone (CID 104518083) is (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone is O=C(c1cc(Br)sc1Br)C1CCCCS1(=O)=O.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone?
The InChIKey is FPUPWFHNQVHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3S2/c11-8-5-6(10(12)16-8)9(13)7-3-1-2-4-17(7,14)15/h5,7H,1-4H2.
What are the key properties of (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone?
(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone has a molecular weight of 402.13 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone is sourced from PubChem (CID 104518083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).