2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole

C21H17NS2 — CID 102323349

IUPAC2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole
SMILESc1ccc(SCc2c(Sc3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H17NS2/c1-3-9-16(10-4-1)23-15-19-18-13-7-8-14-20(18)22-21(19)24-17-11-5-2-6-12-17/h1-14,22H,15H2
InChIKeyCRCIULDDRFQKGG-UHFFFAOYSA-N
MW347.51 g/mol
LogP6.61
Rot. Bonds5

About 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole

2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole (PubChem CID 102323349) has the molecular formula C21H17NS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole.

Molecular Properties

Compound Name2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole
PubChem CID102323349
Molecular FormulaC21H17NS2
Molecular Weight347.51 g/mol
Exact Mass347.08
IUPAC Name2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole
SMILESc1ccc(SCc2c(Sc3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H17NS2/c1-3-9-16(10-4-1)23-15-19-18-13-7-8-14-20(18)22-21(19)24-17-11-5-2-6-12-17/h1-14,22H,15H2
InChIKeyCRCIULDDRFQKGG-UHFFFAOYSA-N
XLogP6.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylsulfanyl-1H-indol-3-yl)acetonitrile
CID 177414346
N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
CID 46328992
2-(2-phenylsulfanyl-1H-indol-3-yl)-1-piperidin-1-ylethanone
CID 46379071
2-(phenylsulfanylmethyl)-1H-indole-3-carboxylic acid
CID 134158506
3-benzyl-2-ethylsulfanyl-1H-indole
CID 11414484
3-[(4-methylpiperazin-1-yl)methyl]-2-(phenylsulfanylmethyl)-1H-indole
CID 16661463
2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
CID 10453718
2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
CID 138983413
2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol
CID 10890785
N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide
CID 46379077
3-(2-phenylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 678582
9H-carbazole
CID 66668984

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole?
The IUPAC name of 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole (CID 102323349) is 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole.
What is the SMILES notation for 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole?
The canonical SMILES for 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole is c1ccc(SCc2c(Sc3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole?
The InChIKey is CRCIULDDRFQKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS2/c1-3-9-16(10-4-1)23-15-19-18-13-7-8-14-20(18)22-21(19)24-17-11-5-2-6-12-17/h1-14,22H,15H2.
What are the key properties of 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole?
2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole has a molecular weight of 347.51 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole is sourced from PubChem (CID 102323349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).