1-bromo-2-(2-bromophenyl)sulfanylbenzene

C12H8Br2S — CID 603694

IUPAC1-bromo-2-(2-bromophenyl)sulfanylbenzene
SMILESBrc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C12H8Br2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H
InChIKeyVAIMIWMAVGWBGX-UHFFFAOYSA-N
MW344.07 g/mol
LogP5.36
Rot. Bonds2

About 1-bromo-2-(2-bromophenyl)sulfanylbenzene

1-bromo-2-(2-bromophenyl)sulfanylbenzene (PubChem CID 603694) has the molecular formula C12H8Br2S and a molecular weight of 344.07 g/mol. Its IUPAC name is 1-bromo-2-(2-bromophenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromophenyl)sulfanylbenzene
PubChem CID603694
Molecular FormulaC12H8Br2S
Molecular Weight344.07 g/mol
Exact Mass341.87
IUPAC Name1-bromo-2-(2-bromophenyl)sulfanylbenzene
SMILESBrc1ccccc1Sc1ccccc1Br
InChIInChI=1S/C12H8Br2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H
InChIKeyVAIMIWMAVGWBGX-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.07
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-(2-bromophenyl)sulfanylbenzene 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

1,1'-Sulfonylbis[4-bromobenzene]
CID 95927
Bis(4-bromophenyl) sulphide
CID 76929
1-Bromo-4-(phenylsulfonyl)benzene
CID 89970
Bis(4-bromophenyl) disulfide
CID 219553
Allyl 4-bromophenyl sulfide
CID 232026
2-Bromothioanisole
CID 88166
1-Bromo-4-phenylsulfanylbenzene
CID 312025
1-(Benzenesulfinyl)-4-bromobenzene
CID 212855
1,1'-Sulfinylbis(4-bromobenzene)
CID 120565
Benzene, 1-bromo-3-(phenylsulfonyl)-
CID 640920
1-(Benzenesulfonyl)-2-bromobenzene
CID 220258
1-Bromo-2-(cyclopropylsulfanyl)benzene
CID 59570916

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromophenyl)sulfanylbenzene?
The IUPAC name of 1-bromo-2-(2-bromophenyl)sulfanylbenzene (CID 603694) is 1-bromo-2-(2-bromophenyl)sulfanylbenzene.
What is the SMILES notation for 1-bromo-2-(2-bromophenyl)sulfanylbenzene?
The canonical SMILES for 1-bromo-2-(2-bromophenyl)sulfanylbenzene is Brc1ccccc1Sc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-bromophenyl)sulfanylbenzene?
The InChIKey is VAIMIWMAVGWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H.
What are the key properties of 1-bromo-2-(2-bromophenyl)sulfanylbenzene?
1-bromo-2-(2-bromophenyl)sulfanylbenzene has a molecular weight of 344.07 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromophenyl)sulfanylbenzene is sourced from PubChem (CID 603694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).