sodium triphenylmethanethiolate

C19H15NaS — CID 23672905

IUPACsodium triphenylmethanethiolate
SMILES[Na+].[S-]C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16S.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q;+1/p-1
InChIKeyIGFISYKOFXTZRP-UHFFFAOYSA-M
MW298.39 g/mol
LogP1.53
Rot. Bonds3

About sodium triphenylmethanethiolate

sodium triphenylmethanethiolate (PubChem CID 23672905) has the molecular formula C19H15NaS and a molecular weight of 298.39 g/mol. Its IUPAC name is sodium triphenylmethanethiolate.

Molecular Properties

Compound Namesodium triphenylmethanethiolate
PubChem CID23672905
Molecular FormulaC19H15NaS
Molecular Weight298.39 g/mol
Exact Mass298.08
IUPAC Namesodium triphenylmethanethiolate
SMILES[Na+].[S-]C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16S.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q;+1/p-1
InChIKeyIGFISYKOFXTZRP-UHFFFAOYSA-M
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze sodium triphenylmethanethiolate 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

sodium;hydride;triphenylmethanol
CID 174537383
CID 177002326
CID 177002326
(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
CID 162197471
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
trimethyl(trityl)phosphanium fluoride
CID 18356035
[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene
CID 16754466
[bromo(diiodo)methyl]benzene
CID 152582923
CID 173259273
CID 173259273
diphenylmethanediol;dihydrochloride
CID 174953837
tert-butylbenzene;chloromethane;ethane
CID 91149652

Frequently Asked Questions

What is the IUPAC name of sodium triphenylmethanethiolate?
The IUPAC name of sodium triphenylmethanethiolate (CID 23672905) is sodium triphenylmethanethiolate.
What is the SMILES notation for sodium triphenylmethanethiolate?
The canonical SMILES for sodium triphenylmethanethiolate is [Na+].[S-]C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of sodium triphenylmethanethiolate?
The InChIKey is IGFISYKOFXTZRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16S.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q;+1/p-1.
What are the key properties of sodium triphenylmethanethiolate?
sodium triphenylmethanethiolate has a molecular weight of 298.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium triphenylmethanethiolate is sourced from PubChem (CID 23672905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).