10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole

C21H15NOS — CID 71481552

IUPAC10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole
SMILESCOc1ccc(-n2c3ccccc3c3sc4ccccc4c32)cc1
InChIInChI=1S/C21H15NOS/c1-23-15-12-10-14(11-13-15)22-18-8-4-2-6-16(18)21-20(22)17-7-3-5-9-19(17)24-21/h2-13H,1H3
InChIKeyJYBGOCSTYMGJJK-UHFFFAOYSA-N
MW329.42 g/mol
LogP6.01
Rot. Bonds2

About 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole

10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole (PubChem CID 71481552) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole
PubChem CID71481552
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole
SMILESCOc1ccc(-n2c3ccccc3c3sc4ccccc4c32)cc1
InChIInChI=1S/C21H15NOS/c1-23-15-12-10-14(11-13-15)22-18-8-4-2-6-16(18)21-20(22)17-7-3-5-9-19(17)24-21/h2-13H,1H3
InChIKeyJYBGOCSTYMGJJK-UHFFFAOYSA-N
XLogP6.01
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[[4-[2-(Diethylamino)ethoxy]phenyl]methyl]-[1]benzothiolo[3,2-b]indole-3,7-diol
CID 44402418
10-[[4-[2-(Dimethylamino)ethoxy]phenyl]methyl]-[1]benzothiolo[3,2-b]indole-3,7-diol
CID 44402483
10-[[4-[2-(Diethylamino)ethoxy]phenyl]methyl]-[1]benzothiolo[3,2-b]indol-7-ol
CID 44402532
10-[[4-[2-(Dimethylamino)ethoxy]phenyl]methyl]-[1]benzothiolo[3,2-b]indol-7-ol
CID 44402598
9-(4-Methoxyphenyl)carbazole
CID 3110802
6-Methoxy-2-[4-[2-methyl-5-(4-methylphenyl)pyrrol-1-yl]phenyl]-1,3-benzothiazole
CID 72190782
2-[4-[2-(4-Fluorophenyl)-5-methylpyrrol-1-yl]phenyl]-6-methoxy-1,3-benzothiazole
CID 72190783
6-Methoxy-2-[4-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]phenyl]-1,3-benzothiazole
CID 72190784
2-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 44422481
2-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 44422482
7-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 53319816
7-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 53319817

Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole (CID 71481552) is 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole is COc1ccc(-n2c3ccccc3c3sc4ccccc4c32)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole?
The InChIKey is JYBGOCSTYMGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c1-23-15-12-10-14(11-13-15)22-18-8-4-2-6-16(18)21-20(22)17-7-3-5-9-19(17)24-21/h2-13H,1H3.
What are the key properties of 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole?
10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole has a molecular weight of 329.42 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 71481552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).