2-(4-tert-butylphenyl)sulfanyl-1H-indole

C18H19NS — CID 151946876

IUPAC2-(4-tert-butylphenyl)sulfanyl-1H-indole
SMILESCC(C)(C)c1ccc(Sc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19NS/c1-18(2,3)14-8-10-15(11-9-14)20-17-12-13-6-4-5-7-16(13)19-17/h4-12,19H,1-3H3
InChIKeyTVVHDVONVYPZRZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.62
Rot. Bonds2

About 2-(4-tert-butylphenyl)sulfanyl-1H-indole

2-(4-tert-butylphenyl)sulfanyl-1H-indole (PubChem CID 151946876) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-1H-indole
PubChem CID151946876
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-1H-indole
SMILESCC(C)(C)c1ccc(Sc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19NS/c1-18(2,3)14-8-10-15(11-9-14)20-17-12-13-6-4-5-7-16(13)19-17/h4-12,19H,1-3H3
InChIKeyTVVHDVONVYPZRZ-UHFFFAOYSA-N
XLogP5.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-2-ylsulfanyl)-2-methylbenzoic acid
CID 81294256
benzene;2-methyl-1H-indole
CID 158804583
2-methyl-1H-indole;hydrofluoride
CID 163912177
1-[2-(1H-indol-2-ylsulfanyl)phenyl]propan-1-one
CID 115994771
4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide
CID 115993142
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775261
5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80890425
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 114055727

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-1H-indole?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-1H-indole (CID 151946876) is 2-(4-tert-butylphenyl)sulfanyl-1H-indole.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-1H-indole?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-1H-indole is CC(C)(C)c1ccc(Sc2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-1H-indole?
The InChIKey is TVVHDVONVYPZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-18(2,3)14-8-10-15(11-9-14)20-17-12-13-6-4-5-7-16(13)19-17/h4-12,19H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-1H-indole?
2-(4-tert-butylphenyl)sulfanyl-1H-indole has a molecular weight of 281.42 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-1H-indole is sourced from PubChem (CID 151946876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).