6,7-dibromonaphtho[1,2-b][1]benzothiole

C16H8Br2S — CID 139379845

IUPAC6,7-dibromonaphtho[1,2-b][1]benzothiole
SMILESBrc1cccc2sc3c4ccccc4cc(Br)c3c12
InChIInChI=1S/C16H8Br2S/c17-11-6-3-7-13-14(11)15-12(18)8-9-4-1-2-5-10(9)16(15)19-13/h1-8H
InChIKeyIMGVIJBIXAIDCS-UHFFFAOYSA-N
MW392.12 g/mol
LogP6.73
Rot. Bonds

About 6,7-dibromonaphtho[1,2-b][1]benzothiole

6,7-dibromonaphtho[1,2-b][1]benzothiole (PubChem CID 139379845) has the molecular formula C16H8Br2S and a molecular weight of 392.12 g/mol. Its IUPAC name is 6,7-dibromonaphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name6,7-dibromonaphtho[1,2-b][1]benzothiole
PubChem CID139379845
Molecular FormulaC16H8Br2S
Molecular Weight392.12 g/mol
Exact Mass389.87
IUPAC Name6,7-dibromonaphtho[1,2-b][1]benzothiole
SMILESBrc1cccc2sc3c4ccccc4cc(Br)c3c12
InChIInChI=1S/C16H8Br2S/c17-11-6-3-7-13-14(11)15-12(18)8-9-4-1-2-5-10(9)16(15)19-13/h1-8H
InChIKeyIMGVIJBIXAIDCS-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.12
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromonaphtho[2,1-b][1]benzothiole
CID 142294349
11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
CID 146663717
15-oxa-10,25-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaene
CID 162700590
6-bromo-10-chloronaphtho[2,1-b][1]benzothiole
CID 155763696
5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole
CID 134530430
5-bromo-7-chloronaphtho[1,2-b][1]benzothiole
CID 166135113
1-bromoanthracen-9-ol;methane
CID 21197331
6-(4-bromophenyl)naphtho[2,1-b][1]benzothiole
CID 118616599
9-anthracen-9-yl-1,10-dibromoanthracene
CID 141260299
1,3-dibromo-9-methyldibenzothiophene
CID 145318369
6-fluoranthen-3-yl-1-phenanthren-9-yldibenzothiophene
CID 129100809
21-(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 139469544

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromonaphtho[1,2-b][1]benzothiole?
The IUPAC name of 6,7-dibromonaphtho[1,2-b][1]benzothiole (CID 139379845) is 6,7-dibromonaphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 6,7-dibromonaphtho[1,2-b][1]benzothiole?
The canonical SMILES for 6,7-dibromonaphtho[1,2-b][1]benzothiole is Brc1cccc2sc3c4ccccc4cc(Br)c3c12.
What is the InChIKey of 6,7-dibromonaphtho[1,2-b][1]benzothiole?
The InChIKey is IMGVIJBIXAIDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2S/c17-11-6-3-7-13-14(11)15-12(18)8-9-4-1-2-5-10(9)16(15)19-13/h1-8H.
What are the key properties of 6,7-dibromonaphtho[1,2-b][1]benzothiole?
6,7-dibromonaphtho[1,2-b][1]benzothiole has a molecular weight of 392.12 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromonaphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 139379845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).