11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole

C18H13NS — CID 118682475

IUPAC11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole
SMILESC1=c2sc3ccccc3c2=CC2Nc3ccccc3C12
InChIInChI=1S/C18H13NS/c1-3-7-15-11(5-1)13-10-18-14(9-16(13)19-15)12-6-2-4-8-17(12)20-18/h1-10,13,16,19H
InChIKeyDJXUHKBISBSTGM-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.05
Rot. Bonds

About 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole

11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole (PubChem CID 118682475) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole
PubChem CID118682475
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC Name11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole
SMILESC1=c2sc3ccccc3c2=CC2Nc3ccccc3C12
InChIInChI=1S/C18H13NS/c1-3-7-15-11(5-1)13-10-18-14(9-16(13)19-15)12-6-2-4-8-17(12)20-18/h1-10,13,16,19H
InChIKeyDJXUHKBISBSTGM-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-[4-(6a,11a-dihydro-[1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
CID 145328141
(4aS,5R,10bS)-5-(3-chloro-1-benzothiophen-2-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 15440331
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Frequently Asked Questions

What is the IUPAC name of 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole (CID 118682475) is 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole is C1=c2sc3ccccc3c2=CC2Nc3ccccc3C12.
What is the InChIKey of 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is DJXUHKBISBSTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c1-3-7-15-11(5-1)13-10-18-14(9-16(13)19-15)12-6-2-4-8-17(12)20-18/h1-10,13,16,19H.
What are the key properties of 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole?
11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 275.38 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 118682475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).