(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone

C10H6Br2OS2 — CID 65279746

IUPAC(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
SMILESCc1cc(Br)c(C(=O)c2sccc2Br)s1
InChIInChI=1S/C10H6Br2OS2/c1-5-4-7(12)10(15-5)8(13)9-6(11)2-3-14-9/h2-4H,1H3
InChIKeyKJKIQAGETMVLCY-UHFFFAOYSA-N
MW366.10 g/mol
LogP4.87
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone

(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone (PubChem CID 65279746) has the molecular formula C10H6Br2OS2 and a molecular weight of 366.10 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
PubChem CID65279746
Molecular FormulaC10H6Br2OS2
Molecular Weight366.10 g/mol
Exact Mass363.82
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
SMILESCc1cc(Br)c(C(=O)c2sccc2Br)s1
InChIInChI=1S/C10H6Br2OS2/c1-5-4-7(12)10(15-5)8(13)9-6(11)2-3-14-9/h2-4H,1H3
InChIKeyKJKIQAGETMVLCY-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone
CID 65279480
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanone
CID 65279107
2-bromo-1-(3-bromo-5-methylthiophen-2-yl)ethanone
CID 65279850
(3-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanone
CID 79214857
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 63797030
3-bromothiophene-2-carbonyl chloride
CID 2797569
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882279
(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096206
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone (CID 65279746) is (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone is Cc1cc(Br)c(C(=O)c2sccc2Br)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone?
The InChIKey is KJKIQAGETMVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2OS2/c1-5-4-7(12)10(15-5)8(13)9-6(11)2-3-14-9/h2-4H,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone?
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone has a molecular weight of 366.10 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 65279746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).