(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone

C10H7BrO2S2 — CID 81127058

IUPAC(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2sccc2Br)c1
InChIInChI=1S/C10H7BrO2S2/c1-13-6-4-8(15-5-6)9(12)10-7(11)2-3-14-10/h2-5H,1H3
InChIKeyUCRVMPXQNGFLEZ-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.81
Rot. Bonds3

About (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone

(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 81127058) has the molecular formula C10H7BrO2S2 and a molecular weight of 303.20 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
PubChem CID81127058
Molecular FormulaC10H7BrO2S2
Molecular Weight303.20 g/mol
Exact Mass301.91
IUPAC Name(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2sccc2Br)c1
InChIInChI=1S/C10H7BrO2S2/c1-13-6-4-8(15-5-6)9(12)10-7(11)2-3-14-10/h2-5H,1H3
InChIKeyUCRVMPXQNGFLEZ-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127475
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(2-amino-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanone
CID 80537146
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
2-(4-methoxythiophen-2-yl)-2-oxoacetaldehyde
CID 139828068

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone (CID 81127058) is (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2sccc2Br)c1.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is UCRVMPXQNGFLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S2/c1-13-6-4-8(15-5-6)9(12)10-7(11)2-3-14-10/h2-5H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone?
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone has a molecular weight of 303.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).