1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane

C15H17BrS — CID 143619217

IUPAC1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
SMILESCC.Cc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C13H11BrS.C2H6/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12;1-2/h2-9H,1H3;1-2H3
InChIKeyULDUOJJHGULAIN-UHFFFAOYSA-N
MW309.27 g/mol
LogP5.93
Rot. Bonds2

About 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane

1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane (PubChem CID 143619217) has the molecular formula C15H17BrS and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane.

Molecular Properties

Compound Name1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
PubChem CID143619217
Molecular FormulaC15H17BrS
Molecular Weight309.27 g/mol
Exact Mass308.02
IUPAC Name1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
SMILESCC.Cc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C13H11BrS.C2H6/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12;1-2/h2-9H,1H3;1-2H3
InChIKeyULDUOJJHGULAIN-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.27
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
CID 58715679
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188
2-(4-bromophenyl)sulfanylphenol
CID 102267343
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
3-(2-methylphenyl)sulfanylthiophene
CID 10330634
2-(4-bromophenyl)sulfanyl-3-methylphenol
CID 102267344
1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
CID 55238363
4-(4-bromo-2-methylphenyl)sulfanylphenol
CID 91877655
N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
bis[2-[4-(2-methylphenyl)sulfanylphenyl]phenyl]methanone
CID 154135705
4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
CID 91877718

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane?
The IUPAC name of 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane (CID 143619217) is 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane.
What is the SMILES notation for 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane?
The canonical SMILES for 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane is CC.Cc1ccccc1Sc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane?
The InChIKey is ULDUOJJHGULAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrS.C2H6/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12;1-2/h2-9H,1H3;1-2H3.
What are the key properties of 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane?
1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane has a molecular weight of 309.27 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane is sourced from PubChem (CID 143619217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).