5-bromo-7-chloronaphtho[1,2-b][1]benzothiole

C16H8BrClS — CID 166135113

IUPAC5-bromo-7-chloronaphtho[1,2-b][1]benzothiole
SMILESClc1cccc2sc3c4ccccc4c(Br)cc3c12
InChIInChI=1S/C16H8BrClS/c17-12-8-11-15-13(18)6-3-7-14(15)19-16(11)10-5-2-1-4-9(10)12/h1-8H
InChIKeyBYFOUWAGMHORLD-UHFFFAOYSA-N
MW347.66 g/mol
LogP6.62
Rot. Bonds

About 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole

5-bromo-7-chloronaphtho[1,2-b][1]benzothiole (PubChem CID 166135113) has the molecular formula C16H8BrClS and a molecular weight of 347.66 g/mol. Its IUPAC name is 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name5-bromo-7-chloronaphtho[1,2-b][1]benzothiole
PubChem CID166135113
Molecular FormulaC16H8BrClS
Molecular Weight347.66 g/mol
Exact Mass345.92
IUPAC Name5-bromo-7-chloronaphtho[1,2-b][1]benzothiole
SMILESClc1cccc2sc3c4ccccc4c(Br)cc3c12
InChIInChI=1S/C16H8BrClS/c17-12-8-11-15-13(18)6-3-7-14(15)19-16(11)10-5-2-1-4-9(10)12/h1-8H
InChIKeyBYFOUWAGMHORLD-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.66
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole 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

9-chlorodibenzothiophen-4-ol
CID 166591681
5-bromonaphtho[1,2-b][1]benzothiole;chloroform;molecular bromine;naphtho[1,2-b][1]benzothiole
CID 157201533
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 177271268
4-(2-bromo-3-chlorophenyl)dibenzothiophene
CID 129023068
1,3,6-trichlorodibenzothiophene
CID 527120
4-bromo-6-chlorodibenzothiophene
CID 54757064
6-chloro-1-(2-phenylphenyl)dibenzothiophene
CID 176630481
6,7-dibromonaphtho[1,2-b][1]benzothiole
CID 139379845
11-chloronaphtho[2,1-b][1]benzothiole
CID 166503443
1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 176824680
9-chloro-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-2-amine
CID 139525351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole?
The IUPAC name of 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole (CID 166135113) is 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole?
The canonical SMILES for 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole is Clc1cccc2sc3c4ccccc4c(Br)cc3c12.
What is the InChIKey of 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole?
The InChIKey is BYFOUWAGMHORLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClS/c17-12-8-11-15-13(18)6-3-7-14(15)19-16(11)10-5-2-1-4-9(10)12/h1-8H.
What are the key properties of 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole?
5-bromo-7-chloronaphtho[1,2-b][1]benzothiole has a molecular weight of 347.66 g/mol, XLogP of 6.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloronaphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 166135113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).