9-(dibromomethylidene)thioxanthene 10,10-dioxide

C14H8Br2O2S — CID 147799061

IUPAC9-(dibromomethylidene)thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2C(=C(Br)Br)c2ccccc21
InChIInChI=1S/C14H8Br2O2S/c15-14(16)13-9-5-1-3-7-11(9)19(17,18)12-8-4-2-6-10(12)13/h1-8H
InChIKeyHLDHQVWROSAQOZ-UHFFFAOYSA-N
MW400.09 g/mol
LogP4.34
Rot. Bonds

About 9-(dibromomethylidene)thioxanthene 10,10-dioxide

9-(dibromomethylidene)thioxanthene 10,10-dioxide (PubChem CID 147799061) has the molecular formula C14H8Br2O2S and a molecular weight of 400.09 g/mol. Its IUPAC name is 9-(dibromomethylidene)thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name9-(dibromomethylidene)thioxanthene 10,10-dioxide
PubChem CID147799061
Molecular FormulaC14H8Br2O2S
Molecular Weight400.09 g/mol
Exact Mass397.86
IUPAC Name9-(dibromomethylidene)thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2C(=C(Br)Br)c2ccccc21
InChIInChI=1S/C14H8Br2O2S/c15-14(16)13-9-5-1-3-7-11(9)19(17,18)12-8-4-2-6-10(12)13/h1-8H
InChIKeyHLDHQVWROSAQOZ-UHFFFAOYSA-N
XLogP4.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.09
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(dibromomethylidene)thioxanthene 10,10-dioxide?
The IUPAC name of 9-(dibromomethylidene)thioxanthene 10,10-dioxide (CID 147799061) is 9-(dibromomethylidene)thioxanthene 10,10-dioxide.
What is the SMILES notation for 9-(dibromomethylidene)thioxanthene 10,10-dioxide?
The canonical SMILES for 9-(dibromomethylidene)thioxanthene 10,10-dioxide is O=S1(=O)c2ccccc2C(=C(Br)Br)c2ccccc21.
What is the InChIKey of 9-(dibromomethylidene)thioxanthene 10,10-dioxide?
The InChIKey is HLDHQVWROSAQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2O2S/c15-14(16)13-9-5-1-3-7-11(9)19(17,18)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 9-(dibromomethylidene)thioxanthene 10,10-dioxide?
9-(dibromomethylidene)thioxanthene 10,10-dioxide has a molecular weight of 400.09 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dibromomethylidene)thioxanthene 10,10-dioxide is sourced from PubChem (CID 147799061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).