[1]benzothiolo[3,2-b]pyridine

C22H14N2S2 — CID 174218515

IUPAC[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1cccnc12
InChIInChI=1S/2C11H7NS/c2*1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h2*1-7H
InChIKeyBUNOGRIIUVLRMA-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.90
Rot. Bonds

About [1]benzothiolo[3,2-b]pyridine

[1]benzothiolo[3,2-b]pyridine (PubChem CID 174218515) has the molecular formula C22H14N2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name[1]benzothiolo[3,2-b]pyridine
PubChem CID174218515
Molecular FormulaC22H14N2S2
Molecular Weight370.50 g/mol
Exact Mass370.06
IUPAC Name[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1cccnc12
InChIInChI=1S/2C11H7NS/c2*1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h2*1-7H
InChIKeyBUNOGRIIUVLRMA-UHFFFAOYSA-N
XLogP6.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1]benzothiolo[3,2-b]pyridine;pyridine
CID 158699365
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine
CID 90250479
12-isoquinolin-3-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168746653
dibenzothiophene;methane
CID 162233710
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
CID 56941578
9-methyl-[1]benzothiolo[3,2-b]pyridine
CID 118243263
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
[1]benzothiolo[3,2-c][1,2]thiazole
CID 14933191
bis(dibenzothiophene);ethane
CID 143921746
4-quinolin-8-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 168746995

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-b]pyridine?
The IUPAC name of [1]benzothiolo[3,2-b]pyridine (CID 174218515) is [1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for [1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for [1]benzothiolo[3,2-b]pyridine is c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1cccnc12.
What is the InChIKey of [1]benzothiolo[3,2-b]pyridine?
The InChIKey is BUNOGRIIUVLRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7NS/c2*1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11/h2*1-7H.
What are the key properties of [1]benzothiolo[3,2-b]pyridine?
[1]benzothiolo[3,2-b]pyridine has a molecular weight of 370.50 g/mol, XLogP of 6.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 174218515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).