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

C13H10Br2OS — CID 79997217

IUPAC(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H10Br2OS/c1-7-5-9(14)3-4-10(7)12(16)11-6-8(2)13(15)17-11/h3-6H,1-2H3
InChIKeyZDRMBNCRKRGXRY-UHFFFAOYSA-N
MW374.10 g/mol
LogP5.12
Rot. Bonds2

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

(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone (PubChem CID 79997217) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
PubChem CID79997217
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H10Br2OS/c1-7-5-9(14)3-4-10(7)12(16)11-6-8(2)13(15)17-11/h3-6H,1-2H3
InChIKeyZDRMBNCRKRGXRY-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79982159
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156986
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(5-amino-2-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79990962
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
5-bromo-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981101
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79981857

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone (CID 79997217) is (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone is Cc1cc(Br)ccc1C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The InChIKey is ZDRMBNCRKRGXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c1-7-5-9(14)3-4-10(7)12(16)11-6-8(2)13(15)17-11/h3-6H,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone has a molecular weight of 374.10 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79997217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).