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

C16H19BrS — CID 143619188

IUPAC1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
SMILESCC.CCc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C14H13BrS.C2H6/c1-2-11-5-3-4-6-14(11)16-13-9-7-12(15)8-10-13;1-2/h3-10H,2H2,1H3;1-2H3
InChIKeyKQBUYRYNUDZJJC-UHFFFAOYSA-N
MW323.30 g/mol
LogP6.19
Rot. Bonds3

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

1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane (PubChem CID 143619188) has the molecular formula C16H19BrS and a molecular weight of 323.30 g/mol. Its IUPAC name is 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane.

Molecular Properties

Compound Name1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
PubChem CID143619188
Molecular FormulaC16H19BrS
Molecular Weight323.30 g/mol
Exact Mass322.04
IUPAC Name1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
SMILESCC.CCc1ccccc1Sc1ccc(Br)cc1
InChIInChI=1S/C14H13BrS.C2H6/c1-2-11-5-3-4-6-14(11)16-13-9-7-12(15)8-10-13;1-2/h3-10H,2H2,1H3;1-2H3
InChIKeyKQBUYRYNUDZJJC-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.30
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
CID 143619217
4-(4-bromophenyl)sulfanyl-3-ethylbenzonitrile
CID 91877251
2-(4-bromophenyl)sulfanylphenol
CID 102267343
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
CID 91877676
1-(bromomethyl)-2-(4-iodophenyl)sulfanylbenzene
CID 172616541
4-(4-bromophenyl)sulfanyl-2-ethyl-1-iodobenzene
CID 91877189
4-(4-bromophenyl)sulfanyl-2-ethylaniline
CID 91877338
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline
CID 143476654
2-[5-(4-bromophenyl)sulfanyl-2-ethylphenyl]acetic acid
CID 91877682

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane?
The IUPAC name of 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane (CID 143619188) is 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane.
What is the SMILES notation for 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane?
The canonical SMILES for 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane is CC.CCc1ccccc1Sc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane?
The InChIKey is KQBUYRYNUDZJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrS.C2H6/c1-2-11-5-3-4-6-14(11)16-13-9-7-12(15)8-10-13;1-2/h3-10H,2H2,1H3;1-2H3.
What are the key properties of 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane?
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane has a molecular weight of 323.30 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane is sourced from PubChem (CID 143619188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).