(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone

C11H9BrOS2 — CID 102826512

IUPAC(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1cc(Br)c(C)s1
InChIInChI=1S/C11H9BrOS2/c1-6-4-14-5-8(6)11(13)10-3-9(12)7(2)15-10/h3-5H,1-2H3
InChIKeyXJJHKYPNPWWRTL-UHFFFAOYSA-N
MW301.23 g/mol
LogP4.42
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone

(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone (PubChem CID 102826512) has the molecular formula C11H9BrOS2 and a molecular weight of 301.23 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
PubChem CID102826512
Molecular FormulaC11H9BrOS2
Molecular Weight301.23 g/mol
Exact Mass299.93
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1cc(Br)c(C)s1
InChIInChI=1S/C11H9BrOS2/c1-6-4-14-5-8(6)11(13)10-3-9(12)7(2)15-10/h3-5H,1-2H3
InChIKeyXJJHKYPNPWWRTL-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
2-(4-bromo-5-methylthiophene-2-carbonyl)-4,5-difluorobenzoic acid
CID 102826968
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(4-bromonaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79802342
(4-bromophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803148
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 102826500
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
CID 102826534

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone (CID 102826512) is (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)c1cc(Br)c(C)s1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is XJJHKYPNPWWRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS2/c1-6-4-14-5-8(6)11(13)10-3-9(12)7(2)15-10/h3-5H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone?
(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 301.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102826512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).