5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide

C10H10Br2O2S — CID 46844732

IUPAC5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide
SMILESO=S1(=O)Cc2cc(CBr)c(CBr)cc2C1
InChIInChI=1S/C10H10Br2O2S/c11-3-7-1-9-5-15(13,14)6-10(9)2-8(7)4-12/h1-2H,3-6H2
InChIKeyBAZLTMSLCANGKM-UHFFFAOYSA-N
MW354.06 g/mol
LogP2.90
Rot. Bonds2

About 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide

5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide (PubChem CID 46844732) has the molecular formula C10H10Br2O2S and a molecular weight of 354.06 g/mol. Its IUPAC name is 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide.

Molecular Properties

Compound Name5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide
PubChem CID46844732
Molecular FormulaC10H10Br2O2S
Molecular Weight354.06 g/mol
Exact Mass351.88
IUPAC Name5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide
SMILESO=S1(=O)Cc2cc(CBr)c(CBr)cc2C1
InChIInChI=1S/C10H10Br2O2S/c11-3-7-1-9-5-15(13,14)6-10(9)2-8(7)4-12/h1-2H,3-6H2
InChIKeyBAZLTMSLCANGKM-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.06
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide?
The IUPAC name of 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide (CID 46844732) is 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide.
What is the SMILES notation for 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide?
The canonical SMILES for 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide is O=S1(=O)Cc2cc(CBr)c(CBr)cc2C1.
What is the InChIKey of 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide?
The InChIKey is BAZLTMSLCANGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2S/c11-3-7-1-9-5-15(13,14)6-10(9)2-8(7)4-12/h1-2H,3-6H2.
What are the key properties of 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide?
5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide has a molecular weight of 354.06 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(bromomethyl)-1,3-dihydro-2-benzothiophene 2,2-dioxide is sourced from PubChem (CID 46844732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).