6-bromo-10-chloronaphtho[2,1-b][1]benzothiole

C16H8BrClS — CID 155763696

IUPAC6-bromo-10-chloronaphtho[2,1-b][1]benzothiole
SMILESClc1ccc2sc3c(Br)cc4ccccc4c3c2c1
InChIInChI=1S/C16H8BrClS/c17-13-7-9-3-1-2-4-11(9)15-12-8-10(18)5-6-14(12)19-16(13)15/h1-8H
InChIKeyQYISZRLKNYBSOK-UHFFFAOYSA-N
MW347.66 g/mol
LogP6.62
Rot. Bonds

About 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole

6-bromo-10-chloronaphtho[2,1-b][1]benzothiole (PubChem CID 155763696) has the molecular formula C16H8BrClS and a molecular weight of 347.66 g/mol. Its IUPAC name is 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole.

Molecular Properties

Compound Name6-bromo-10-chloronaphtho[2,1-b][1]benzothiole
PubChem CID155763696
Molecular FormulaC16H8BrClS
Molecular Weight347.66 g/mol
Exact Mass345.92
IUPAC Name6-bromo-10-chloronaphtho[2,1-b][1]benzothiole
SMILESClc1ccc2sc3c(Br)cc4ccccc4c3c2c1
InChIInChI=1S/C16H8BrClS/c17-13-7-9-3-1-2-4-11(9)15-12-8-10(18)5-6-14(12)19-16(13)15/h1-8H
InChIKeyQYISZRLKNYBSOK-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

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Related Compounds

8-chloro-1-phenanthren-9-yldibenzothiophene
CID 172508813
19-chloro-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 90267086
9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 15628522
17-(4-chlorophenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 166918257
7-chloro-3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
CID 166846721
6-(4-bromophenyl)naphtho[2,1-b][1]benzothiole
CID 118616599
6,7-dibromonaphtho[1,2-b][1]benzothiole
CID 139379845
1-bromo-4-chloronaphtho[2,3-b][1]benzothiole
CID 166856898
4-bromo-7-chloro-1-phenyldibenzothiophene
CID 155763709
2-chlorobenzo[a]anthracene
CID 23367240
4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
CID 139338091
molecular bromine;5,14,23-tribromo-9,18,27-trithiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene;9,18,27-trithiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 159179168

Frequently Asked Questions

What is the IUPAC name of 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole?
The IUPAC name of 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole (CID 155763696) is 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole.
What is the SMILES notation for 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole?
The canonical SMILES for 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole is Clc1ccc2sc3c(Br)cc4ccccc4c3c2c1.
What is the InChIKey of 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole?
The InChIKey is QYISZRLKNYBSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClS/c17-13-7-9-3-1-2-4-11(9)15-12-8-10(18)5-6-14(12)19-16(13)15/h1-8H.
What are the key properties of 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole?
6-bromo-10-chloronaphtho[2,1-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 6-bromo-10-chloronaphtho[2,1-b][1]benzothiole is sourced from PubChem (CID 155763696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).