(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone

C10H6Br2O2S2 — CID 81126729

IUPAC(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2scc(Br)c2Br)c1
InChIInChI=1S/C10H6Br2O2S2/c1-14-5-2-7(15-3-5)9(13)10-8(12)6(11)4-16-10/h2-4H,1H3
InChIKeyGUIVYZKKXNXTGN-UHFFFAOYSA-N
MW382.10 g/mol
LogP4.57
Rot. Bonds3

About (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone

(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 81126729) has the molecular formula C10H6Br2O2S2 and a molecular weight of 382.10 g/mol. Its IUPAC name is (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
PubChem CID81126729
Molecular FormulaC10H6Br2O2S2
Molecular Weight382.10 g/mol
Exact Mass379.82
IUPAC Name(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2scc(Br)c2Br)c1
InChIInChI=1S/C10H6Br2O2S2/c1-14-5-2-7(15-3-5)9(13)10-8(12)6(11)4-16-10/h2-4H,1H3
InChIKeyGUIVYZKKXNXTGN-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127475
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
2-(4-methoxythiophen-2-yl)-2-oxoacetaldehyde
CID 139828068
(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131204212
(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
CID 79602326
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133

Frequently Asked Questions

What is the IUPAC name of (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone (CID 81126729) is (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2scc(Br)c2Br)c1.
What is the InChIKey of (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is GUIVYZKKXNXTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2O2S2/c1-14-5-2-7(15-3-5)9(13)10-8(12)6(11)4-16-10/h2-4H,1H3.
What are the key properties of (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone has a molecular weight of 382.10 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81126729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).