5-(dibromomethyl)benzo[g][1]benzothiole

C13H8Br2S — CID 70430980

IUPAC5-(dibromomethyl)benzo[g][1]benzothiole
SMILESBrC(Br)c1cc2ccsc2c2ccccc12
InChIInChI=1S/C13H8Br2S/c14-13(15)11-7-8-5-6-16-12(8)10-4-2-1-3-9(10)11/h1-7,13H
InChIKeyHDLFPPROHXKDOF-UHFFFAOYSA-N
MW356.08 g/mol
LogP5.84
Rot. Bonds1

About 5-(dibromomethyl)benzo[g][1]benzothiole

5-(dibromomethyl)benzo[g][1]benzothiole (PubChem CID 70430980) has the molecular formula C13H8Br2S and a molecular weight of 356.08 g/mol. Its IUPAC name is 5-(dibromomethyl)benzo[g][1]benzothiole.

Molecular Properties

Compound Name5-(dibromomethyl)benzo[g][1]benzothiole
PubChem CID70430980
Molecular FormulaC13H8Br2S
Molecular Weight356.08 g/mol
Exact Mass353.87
IUPAC Name5-(dibromomethyl)benzo[g][1]benzothiole
SMILESBrC(Br)c1cc2ccsc2c2ccccc12
InChIInChI=1S/C13H8Br2S/c14-13(15)11-7-8-5-6-16-12(8)10-4-2-1-3-9(10)11/h1-7,13H
InChIKeyHDLFPPROHXKDOF-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.08
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzo(b)naphtho(2,1-d)thiophene
CID 9198
4,6-Dimethyldibenzothiophene
CID 71012
2-(2-Naphthyl)-1-thiaindene
CID 253238
Phenanthro(3,4-b)thiophene
CID 160441
Phenanthro(4,3-b)thiophene
CID 164557
3-(2-Naphthyl)-1-thiaindene
CID 294854
Benzo(b)naphtho(2,3-d)thiophene
CID 9203
Phenanthro(4,5-bcd)thiophene
CID 35463
Naphtho(2,3-b)thiophene
CID 67497
Phenanthro[1,2-b]thiophene
CID 148831
Phenanthro(9,10-b)thiophene
CID 164572
2,4,7-Trimethyldibenzothiophene
CID 6428292

Frequently Asked Questions

What is the IUPAC name of 5-(dibromomethyl)benzo[g][1]benzothiole?
The IUPAC name of 5-(dibromomethyl)benzo[g][1]benzothiole (CID 70430980) is 5-(dibromomethyl)benzo[g][1]benzothiole.
What is the SMILES notation for 5-(dibromomethyl)benzo[g][1]benzothiole?
The canonical SMILES for 5-(dibromomethyl)benzo[g][1]benzothiole is BrC(Br)c1cc2ccsc2c2ccccc12.
What is the InChIKey of 5-(dibromomethyl)benzo[g][1]benzothiole?
The InChIKey is HDLFPPROHXKDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2S/c14-13(15)11-7-8-5-6-16-12(8)10-4-2-1-3-9(10)11/h1-7,13H.
What are the key properties of 5-(dibromomethyl)benzo[g][1]benzothiole?
5-(dibromomethyl)benzo[g][1]benzothiole has a molecular weight of 356.08 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibromomethyl)benzo[g][1]benzothiole is sourced from PubChem (CID 70430980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).