azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene

C14H15BrClNS — CID 68851052

IUPACazane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene
SMILESCCc1cc(Br)ccc1Sc1ccc(Cl)cc1.N
InChIInChI=1S/C14H12BrClS.H3N/c1-2-10-9-11(15)3-8-14(10)17-13-6-4-12(16)5-7-13;/h3-9H,2H2,1H3;1H3
InChIKeyINFCISHZLQPYTI-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.98
Rot. Bonds3

About azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene

azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene (PubChem CID 68851052) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene.

Molecular Properties

Compound Nameazane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene
PubChem CID68851052
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Nameazane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene
SMILESCCc1cc(Br)ccc1Sc1ccc(Cl)cc1.N
InChIInChI=1S/C14H12BrClS.H3N/c1-2-10-9-11(15)3-8-14(10)17-13-6-4-12(16)5-7-13;/h3-9H,2H2,1H3;1H3
InChIKeyINFCISHZLQPYTI-UHFFFAOYSA-N
XLogP5.98
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene?
The IUPAC name of azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene (CID 68851052) is azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene.
What is the SMILES notation for azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene?
The canonical SMILES for azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene is CCc1cc(Br)ccc1Sc1ccc(Cl)cc1.N.
What is the InChIKey of azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene?
The InChIKey is INFCISHZLQPYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClS.H3N/c1-2-10-9-11(15)3-8-14(10)17-13-6-4-12(16)5-7-13;/h3-9H,2H2,1H3;1H3.
What are the key properties of azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene?
azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene has a molecular weight of 344.71 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-bromo-1-(4-chlorophenyl)sulfanyl-2-ethylbenzene is sourced from PubChem (CID 68851052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).