5-(1H-indol-3-yl)-1-phenylpentane-2-thione

C19H19NS — CID 58171080

IUPAC5-(1H-indol-3-yl)-1-phenylpentane-2-thione
SMILESS=C(CCCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C19H19NS/c21-17(13-15-7-2-1-3-8-15)10-6-9-16-14-20-19-12-5-4-11-18(16)19/h1-5,7-8,11-12,14,20H,6,9-10,13H2
InChIKeyDIRZTCGKSCKRPV-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.10
Rot. Bonds6

About 5-(1H-indol-3-yl)-1-phenylpentane-2-thione

5-(1H-indol-3-yl)-1-phenylpentane-2-thione (PubChem CID 58171080) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-1-phenylpentane-2-thione.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-1-phenylpentane-2-thione
PubChem CID58171080
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name5-(1H-indol-3-yl)-1-phenylpentane-2-thione
SMILESS=C(CCCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C19H19NS/c21-17(13-15-7-2-1-3-8-15)10-6-9-16-14-20-19-12-5-4-11-18(16)19/h1-5,7-8,11-12,14,20H,6,9-10,13H2
InChIKeyDIRZTCGKSCKRPV-UHFFFAOYSA-N
XLogP5.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-(1H-indol-3-yl)-1-phenylpentane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
4-(1H-indol-3-yl)butanamide
CID 588715
2-(3-chlorophenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171229
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
3-(1H-indol-3-yl)propanethioamide
CID 3979253
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
2-(3-methoxyphenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171051
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-1-phenylpentane-2-thione?
The IUPAC name of 5-(1H-indol-3-yl)-1-phenylpentane-2-thione (CID 58171080) is 5-(1H-indol-3-yl)-1-phenylpentane-2-thione.
What is the SMILES notation for 5-(1H-indol-3-yl)-1-phenylpentane-2-thione?
The canonical SMILES for 5-(1H-indol-3-yl)-1-phenylpentane-2-thione is S=C(CCCc1c[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of 5-(1H-indol-3-yl)-1-phenylpentane-2-thione?
The InChIKey is DIRZTCGKSCKRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c21-17(13-15-7-2-1-3-8-15)10-6-9-16-14-20-19-12-5-4-11-18(16)19/h1-5,7-8,11-12,14,20H,6,9-10,13H2.
What are the key properties of 5-(1H-indol-3-yl)-1-phenylpentane-2-thione?
5-(1H-indol-3-yl)-1-phenylpentane-2-thione has a molecular weight of 293.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-1-phenylpentane-2-thione is sourced from PubChem (CID 58171080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).