3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene

C10H8Br2S5 — CID 86009410

IUPAC3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene
SMILESCSc1cc(Br)c(Sc2sc(SC)cc2Br)s1
InChIInChI=1S/C10H8Br2S5/c1-13-7-3-5(11)9(15-7)17-10-6(12)4-8(14-2)16-10/h3-4H,1-2H3
InChIKeyOZSHOMJGPSRTLC-UHFFFAOYSA-N
MW448.32 g/mol
LogP6.93
Rot. Bonds4

About 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene

3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene (PubChem CID 86009410) has the molecular formula C10H8Br2S5 and a molecular weight of 448.32 g/mol. Its IUPAC name is 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene.

Molecular Properties

Compound Name3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene
PubChem CID86009410
Molecular FormulaC10H8Br2S5
Molecular Weight448.32 g/mol
Exact Mass445.76
IUPAC Name3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene
SMILESCSc1cc(Br)c(Sc2sc(SC)cc2Br)s1
InChIInChI=1S/C10H8Br2S5/c1-13-7-3-5(11)9(15-7)17-10-6(12)4-8(14-2)16-10/h3-4H,1-2H3
InChIKeyOZSHOMJGPSRTLC-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene?
The IUPAC name of 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene (CID 86009410) is 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene.
What is the SMILES notation for 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene?
The canonical SMILES for 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene is CSc1cc(Br)c(Sc2sc(SC)cc2Br)s1.
What is the InChIKey of 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene?
The InChIKey is OZSHOMJGPSRTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2S5/c1-13-7-3-5(11)9(15-7)17-10-6(12)4-8(14-2)16-10/h3-4H,1-2H3.
What are the key properties of 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene?
3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene has a molecular weight of 448.32 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromo-5-methylsulfanylthiophen-2-yl)sulfanyl-5-methylsulfanylthiophene is sourced from PubChem (CID 86009410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).