(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone

C12H9BrOS2 — CID 79214842

IUPAC(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrOS2/c1-15-9-5-3-2-4-8(9)12(14)10-6-7-11(13)16-10/h2-7H,1H3
InChIKeyRDYPEGXEQILKGE-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.46
Rot. Bonds3

About (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone

(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone (PubChem CID 79214842) has the molecular formula C12H9BrOS2 and a molecular weight of 313.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone
PubChem CID79214842
Molecular FormulaC12H9BrOS2
Molecular Weight313.24 g/mol
Exact Mass311.93
IUPAC Name(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrOS2/c1-15-9-5-3-2-4-8(9)12(14)10-6-7-11(13)16-10/h2-7H,1H3
InChIKeyRDYPEGXEQILKGE-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
CID 79215169
(3-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanone
CID 79214857
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(4-bromonaphthalen-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79593292
2-methylsulfanylbenzoate
CID 6932478
cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
CID 102043267
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 79214245
(2-methylsulfanylphenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
CID 112745680

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone (CID 79214842) is (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is RDYPEGXEQILKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS2/c1-15-9-5-3-2-4-8(9)12(14)10-6-7-11(13)16-10/h2-7H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone?
(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 313.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79214842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).