(3-bromo-4-methylsulfanylphenyl)-phenylmethanone

C14H11BrOS — CID 90305373

IUPAC(3-bromo-4-methylsulfanylphenyl)-phenylmethanone
SMILESCSc1ccc(C(=O)c2ccccc2)cc1Br
InChIInChI=1S/C14H11BrOS/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyWTZQWWLMAHRGOQ-UHFFFAOYSA-N
MW307.21 g/mol
LogP4.40
Rot. Bonds3

About (3-bromo-4-methylsulfanylphenyl)-phenylmethanone

(3-bromo-4-methylsulfanylphenyl)-phenylmethanone (PubChem CID 90305373) has the molecular formula C14H11BrOS and a molecular weight of 307.21 g/mol. Its IUPAC name is (3-bromo-4-methylsulfanylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-bromo-4-methylsulfanylphenyl)-phenylmethanone
PubChem CID90305373
Molecular FormulaC14H11BrOS
Molecular Weight307.21 g/mol
Exact Mass305.97
IUPAC Name(3-bromo-4-methylsulfanylphenyl)-phenylmethanone
SMILESCSc1ccc(C(=O)c2ccccc2)cc1Br
InChIInChI=1S/C14H11BrOS/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyWTZQWWLMAHRGOQ-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
4-bromo-3-methylsulfanylbenzoic acid
CID 86047371
[3-amino-4-[(2-amino-4-benzoylphenyl)disulfanyl]phenyl]-phenylmethanone
CID 46862067
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
CID 70476980
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylsulfanylphenyl)-phenylmethanone?
The IUPAC name of (3-bromo-4-methylsulfanylphenyl)-phenylmethanone (CID 90305373) is (3-bromo-4-methylsulfanylphenyl)-phenylmethanone.
What is the SMILES notation for (3-bromo-4-methylsulfanylphenyl)-phenylmethanone?
The canonical SMILES for (3-bromo-4-methylsulfanylphenyl)-phenylmethanone is CSc1ccc(C(=O)c2ccccc2)cc1Br.
What is the InChIKey of (3-bromo-4-methylsulfanylphenyl)-phenylmethanone?
The InChIKey is WTZQWWLMAHRGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrOS/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (3-bromo-4-methylsulfanylphenyl)-phenylmethanone?
(3-bromo-4-methylsulfanylphenyl)-phenylmethanone has a molecular weight of 307.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylsulfanylphenyl)-phenylmethanone is sourced from PubChem (CID 90305373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).