2-(4-bromophenyl)-1,3-dithiane

C10H11BrS2 — CID 11265813

IUPAC2-(4-bromophenyl)-1,3-dithiane
SMILESBrc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C10H11BrS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2
InChIKeyJTTPIFRYHSJHOY-UHFFFAOYSA-N
MW275.24 g/mol
LogP4.32
Rot. Bonds1

About 2-(4-bromophenyl)-1,3-dithiane

2-(4-bromophenyl)-1,3-dithiane (PubChem CID 11265813) has the molecular formula C10H11BrS2 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3-dithiane
PubChem CID11265813
Molecular FormulaC10H11BrS2
Molecular Weight275.24 g/mol
Exact Mass273.95
IUPAC Name2-(4-bromophenyl)-1,3-dithiane
SMILESBrc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C10H11BrS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2
InChIKeyJTTPIFRYHSJHOY-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3-dithiane?
The IUPAC name of 2-(4-bromophenyl)-1,3-dithiane (CID 11265813) is 2-(4-bromophenyl)-1,3-dithiane.
What is the SMILES notation for 2-(4-bromophenyl)-1,3-dithiane?
The canonical SMILES for 2-(4-bromophenyl)-1,3-dithiane is Brc1ccc(C2SCCCS2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,3-dithiane?
The InChIKey is JTTPIFRYHSJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2.
What are the key properties of 2-(4-bromophenyl)-1,3-dithiane?
2-(4-bromophenyl)-1,3-dithiane has a molecular weight of 275.24 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3-dithiane is sourced from PubChem (CID 11265813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).