1H-[1]benzothiolo[3,2-e]isoindole

C14H9NS — CID 57280205

IUPAC1H-[1]benzothiolo[3,2-e]isoindole
SMILESC1=NCc2c1ccc1sc3ccccc3c21
InChIInChI=1S/C14H9NS/c1-2-4-12-10(3-1)14-11-8-15-7-9(11)5-6-13(14)16-12/h1-7H,8H2
InChIKeyWVVAGKILCDHZOZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.99
Rot. Bonds

About 1H-[1]benzothiolo[3,2-e]isoindole

1H-[1]benzothiolo[3,2-e]isoindole (PubChem CID 57280205) has the molecular formula C14H9NS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1H-[1]benzothiolo[3,2-e]isoindole.

Molecular Properties

Compound Name1H-[1]benzothiolo[3,2-e]isoindole
PubChem CID57280205
Molecular FormulaC14H9NS
Molecular Weight223.30 g/mol
Exact Mass223.05
IUPAC Name1H-[1]benzothiolo[3,2-e]isoindole
SMILESC1=NCc2c1ccc1sc3ccccc3c21
InChIInChI=1S/C14H9NS/c1-2-4-12-10(3-1)14-11-8-15-7-9(11)5-6-13(14)16-12/h1-7H,8H2
InChIKeyWVVAGKILCDHZOZ-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12H-fluoreno[2,1-b][1]benzothiole
CID 122434434
2-methyl-2,3-dihydro-1H-indeno[5,4-b][1]benzothiole
CID 141137697
1-methyldibenzothiophene
CID 23839
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
dibenzothiophene;methane
CID 162233710
10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
CID 13409695
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
[1]benzothiolo[2,3-h]isoquinoline
CID 14871970
2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 155474127
bis(dibenzothiophene);ethane
CID 143921746
1H-[1]benzothiolo[2,3-g]indazole
CID 166069972
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432

Frequently Asked Questions

What is the IUPAC name of 1H-[1]benzothiolo[3,2-e]isoindole?
The IUPAC name of 1H-[1]benzothiolo[3,2-e]isoindole (CID 57280205) is 1H-[1]benzothiolo[3,2-e]isoindole.
What is the SMILES notation for 1H-[1]benzothiolo[3,2-e]isoindole?
The canonical SMILES for 1H-[1]benzothiolo[3,2-e]isoindole is C1=NCc2c1ccc1sc3ccccc3c21.
What is the InChIKey of 1H-[1]benzothiolo[3,2-e]isoindole?
The InChIKey is WVVAGKILCDHZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NS/c1-2-4-12-10(3-1)14-11-8-15-7-9(11)5-6-13(14)16-12/h1-7H,8H2.
What are the key properties of 1H-[1]benzothiolo[3,2-e]isoindole?
1H-[1]benzothiolo[3,2-e]isoindole has a molecular weight of 223.30 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1]benzothiolo[3,2-e]isoindole is sourced from PubChem (CID 57280205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).