1-(4-bromophenyl)-2-phenylsulfanylethanone

C14H11BrOS — CID 4224626

IUPAC1-(4-bromophenyl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrOS/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyTVCNXZGMRAWXRL-UHFFFAOYSA-N
MW307.21 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-bromophenyl)-2-phenylsulfanylethanone

1-(4-bromophenyl)-2-phenylsulfanylethanone (PubChem CID 4224626) has the molecular formula C14H11BrOS and a molecular weight of 307.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-phenylsulfanylethanone
PubChem CID4224626
Molecular FormulaC14H11BrOS
Molecular Weight307.21 g/mol
Exact Mass305.97
IUPAC Name1-(4-bromophenyl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrOS/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyTVCNXZGMRAWXRL-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-phenylsulfanylethanone (CID 4224626) is 1-(4-bromophenyl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-phenylsulfanylethanone?
The InChIKey is TVCNXZGMRAWXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrOS/c15-12-8-6-11(7-9-12)14(16)10-17-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-(4-bromophenyl)-2-phenylsulfanylethanone?
1-(4-bromophenyl)-2-phenylsulfanylethanone has a molecular weight of 307.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-phenylsulfanylethanone is sourced from PubChem (CID 4224626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).