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

Analyze 2-(4-bromophenyl)-1,3-dithiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-1,3-dithiane
CID 21547
(4-Bromophenyl)methanethiol
CID 271218
2-(4-Bromophenyl)-5-tert-butyl-1,3-dithiane
CID 22421012
2-Bromobenzyl methyl sulfide
CID 4108138
1-Bromo-4-[[(4-bromophenyl)methyltrisulfanyl]methyl]benzene
CID 44416192
2-(4-bromophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 9884806
2-(4-Bromophenyl)-1,3-dithiolane
CID 55012
2-Styryl-1,3-dithiane
CID 5372969
5-(4-Bromophenyl)-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
CID 12043584
2-(3-Bromophenyl)-1,3-dithiolane
CID 54875
4-Bromobenzyl thiocyanate
CID 4061252
1-Bromo-3-[(methylsulfanyl)methyl]benzene
CID 12587516

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).