1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one

C17H15NOS — CID 58139269

IUPAC1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one
SMILESO=C(CS)Cc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C17H15NOS/c19-14(11-20)9-12-5-1-3-7-15(12)17-10-13-6-2-4-8-16(13)18-17/h1-8,10,18,20H,9,11H2
InChIKeyRKVBKWGFOYVFEQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.88
Rot. Bonds4

About 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one

1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one (PubChem CID 58139269) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one
PubChem CID58139269
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one
SMILESO=C(CS)Cc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C17H15NOS/c19-14(11-20)9-12-5-1-3-7-15(12)17-10-13-6-2-4-8-16(13)18-17/h1-8,10,18,20H,9,11H2
InChIKeyRKVBKWGFOYVFEQ-UHFFFAOYSA-N
XLogP3.88
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
2-(2-benzylphenyl)-1H-indole
CID 23325485
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
CID 91534823
[2-(1H-indol-2-yl)phenyl] acetate
CID 155537678
2-(2-iodophenyl)-1H-indole
CID 12996175
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
2,4-dichloro-6-(1H-indol-2-yl)phenol
CID 142650101
2-amino-3-(1H-indol-2-yl)benzoic acid
CID 150652093
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
CID 20972909
4H-cyclopenta[b]quinolin-1-ol
CID 154308878
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one?
The IUPAC name of 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one (CID 58139269) is 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one?
The canonical SMILES for 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one is O=C(CS)Cc1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one?
The InChIKey is RKVBKWGFOYVFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c19-14(11-20)9-12-5-1-3-7-15(12)17-10-13-6-2-4-8-16(13)18-17/h1-8,10,18,20H,9,11H2.
What are the key properties of 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one?
1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one has a molecular weight of 281.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)phenyl]-3-sulfanylpropan-2-one is sourced from PubChem (CID 58139269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).