1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene

C15H13BrS — CID 164667148

IUPAC1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene
SMILESC=C(Br)Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C15H13BrS/c1-12(16)11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-10H,1,11H2
InChIKeyPBTYDPHFNHOCAI-UHFFFAOYSA-N
MW305.24 g/mol
LogP5.29
Rot. Bonds4

About 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene

1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene (PubChem CID 164667148) has the molecular formula C15H13BrS and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene
PubChem CID164667148
Molecular FormulaC15H13BrS
Molecular Weight305.24 g/mol
Exact Mass303.99
IUPAC Name1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene
SMILESC=C(Br)Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C15H13BrS/c1-12(16)11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-10H,1,11H2
InChIKeyPBTYDPHFNHOCAI-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.24
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene (CID 164667148) is 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene is C=C(Br)Cc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene?
The InChIKey is PBTYDPHFNHOCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrS/c1-12(16)11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-10H,1,11H2.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene?
1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene has a molecular weight of 305.24 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2-phenylsulfanylbenzene is sourced from PubChem (CID 164667148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).