2-phenylsulfanyl-1-pyridin-2-ylindole

C19H14N2S — CID 138963069

IUPAC2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESc1ccc(Sc2cc3ccccc3n2-c2ccccn2)cc1
InChIInChI=1S/C19H14N2S/c1-2-9-16(10-3-1)22-19-14-15-8-4-5-11-17(15)21(19)18-12-6-7-13-20-18/h1-14H
InChIKeyNCXIZSVSEPUDEI-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.18
Rot. Bonds3

About 2-phenylsulfanyl-1-pyridin-2-ylindole

2-phenylsulfanyl-1-pyridin-2-ylindole (PubChem CID 138963069) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-pyridin-2-ylindole.

Molecular Properties

Compound Name2-phenylsulfanyl-1-pyridin-2-ylindole
PubChem CID138963069
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Name2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESc1ccc(Sc2cc3ccccc3n2-c2ccccn2)cc1
InChIInChI=1S/C19H14N2S/c1-2-9-16(10-3-1)22-19-14-15-8-4-5-11-17(15)21(19)18-12-6-7-13-20-18/h1-14H
InChIKeyNCXIZSVSEPUDEI-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

S-21007
CID 9863146
8-(4-Benzylpiperazin-1-yl)-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10247171
N,N,11,13-tetramethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 141760863
11,13-Dimethyl-6-pyrrolidin-1-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 141760870
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
CID 162658964
6-methyl-N-(2-methylphenyl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 7338104
8-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10833258
3-[(4-Phenylpiperazin-1-yl)methyl]-1-pyridin-2-ylindole
CID 76336182
5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
CID 162666812
N-[(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-amine
CID 3447990
8-(4-Methylpiperazin-1-yl)-4-phenyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10665419
8-(4-Benzylpiperazin-1-yl)-4,5-dimethyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10809561

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1-pyridin-2-ylindole?
The IUPAC name of 2-phenylsulfanyl-1-pyridin-2-ylindole (CID 138963069) is 2-phenylsulfanyl-1-pyridin-2-ylindole.
What is the SMILES notation for 2-phenylsulfanyl-1-pyridin-2-ylindole?
The canonical SMILES for 2-phenylsulfanyl-1-pyridin-2-ylindole is c1ccc(Sc2cc3ccccc3n2-c2ccccn2)cc1.
What is the InChIKey of 2-phenylsulfanyl-1-pyridin-2-ylindole?
The InChIKey is NCXIZSVSEPUDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S/c1-2-9-16(10-3-1)22-19-14-15-8-4-5-11-17(15)21(19)18-12-6-7-13-20-18/h1-14H.
What are the key properties of 2-phenylsulfanyl-1-pyridin-2-ylindole?
2-phenylsulfanyl-1-pyridin-2-ylindole has a molecular weight of 302.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-pyridin-2-ylindole is sourced from PubChem (CID 138963069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).