4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene

C14H13BrOS — CID 91877415

IUPAC4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2C)cc1
InChIInChI=1S/C14H13BrOS/c1-10-9-11(15)3-8-14(10)17-13-6-4-12(16-2)5-7-13/h3-9H,1-2H3
InChIKeyGESHQRYSSQHCCO-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.92
Rot. Bonds3

About 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene

4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene (PubChem CID 91877415) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
PubChem CID91877415
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2C)cc1
InChIInChI=1S/C14H13BrOS/c1-10-9-11(15)3-8-14(10)17-13-6-4-12(16-2)5-7-13/h3-9H,1-2H3
InChIKeyGESHQRYSSQHCCO-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-methylphenyl)sulfanylphenol
CID 91877655
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
CID 91877718
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
CID 63812767
N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine
CID 63806495
4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid
CID 91878618
1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene
CID 91877399
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(4-methoxyphenyl)thiourea
CID 18226262

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene?
The IUPAC name of 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene (CID 91877415) is 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene?
The canonical SMILES for 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene is COc1ccc(Sc2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene?
The InChIKey is GESHQRYSSQHCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-10-9-11(15)3-8-14(10)17-13-6-4-12(16-2)5-7-13/h3-9H,1-2H3.
What are the key properties of 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene?
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene has a molecular weight of 309.23 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene is sourced from PubChem (CID 91877415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).