benzo[g][1]benzothiole

C12H8S — CID 9193

IUPACbenzo[g][1]benzothiole
SMILESc1ccc2c(c1)ccc1ccsc12
InChIInChI=1S/C12H8S/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8H
InChIKeyXHYRHAQEXJIVJX-UHFFFAOYSA-N
MW184.26 g/mol
LogP4.05
Rot. Bonds

About benzo[g][1]benzothiole

benzo[g][1]benzothiole (PubChem CID 9193) has the molecular formula C12H8S and a molecular weight of 184.26 g/mol. Its IUPAC name is benzo[g][1]benzothiole.

Molecular Properties

Compound Namebenzo[g][1]benzothiole
PubChem CID9193
Molecular FormulaC12H8S
Molecular Weight184.26 g/mol
Exact Mass184.03
IUPAC Namebenzo[g][1]benzothiole
SMILESc1ccc2c(c1)ccc1ccsc12
InChIInChI=1S/C12H8S/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8H
InChIKeyXHYRHAQEXJIVJX-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzothiophene
CID 3023
Benzo(b)naphtho(2,1-d)thiophene
CID 9198
4,6-Dimethyldibenzothiophene
CID 71012
3-Methylbenzo[b]thiophene
CID 73817
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
2-Methyl-dibenzothiophene
CID 35700
Dinaphtho(2,1-b:1',2'-d)thiophene
CID 67452

Frequently Asked Questions

What is the IUPAC name of benzo[g][1]benzothiole?
The IUPAC name of benzo[g][1]benzothiole (CID 9193) is benzo[g][1]benzothiole.
What is the SMILES notation for benzo[g][1]benzothiole?
The canonical SMILES for benzo[g][1]benzothiole is c1ccc2c(c1)ccc1ccsc12.
What is the InChIKey of benzo[g][1]benzothiole?
The InChIKey is XHYRHAQEXJIVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8H.
What are the key properties of benzo[g][1]benzothiole?
benzo[g][1]benzothiole has a molecular weight of 184.26 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1]benzothiole is sourced from PubChem (CID 9193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).