2-tritylsulfanylethanamine;hydrochloride

C21H22ClNS — CID 18427267

IUPAC2-tritylsulfanylethanamine;hydrochloride
SMILESCl.NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NS.ClH/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,22H2;1H
InChIKeySLSXAHLRIYRHBE-UHFFFAOYSA-N
MW355.93 g/mol
LogP5.09
Rot. Bonds6

About 2-tritylsulfanylethanamine;hydrochloride

2-tritylsulfanylethanamine;hydrochloride (PubChem CID 18427267) has the molecular formula C21H22ClNS and a molecular weight of 355.93 g/mol. Its IUPAC name is 2-tritylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-tritylsulfanylethanamine;hydrochloride
PubChem CID18427267
Molecular FormulaC21H22ClNS
Molecular Weight355.93 g/mol
Exact Mass355.12
IUPAC Name2-tritylsulfanylethanamine;hydrochloride
SMILESCl.NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NS.ClH/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,22H2;1H
InChIKeySLSXAHLRIYRHBE-UHFFFAOYSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.93
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)-3-phenylpropan-1-amine
CID 10430935
S-Tritylcysteamine
CID 262764
(2R)-2-amino-3-((triphenylmethyl)sulfanyl)propanamide
CID 44432703
2-(Benzylsulfanyl)ethan-1-amine
CID 31198
2-(Benzhydrylthio)ethanamine
CID 279413
N-(2-(benzhydrylthio)ethyl)-3-phenylpropan-1-amine
CID 9975860
(R)-2-Amino-3-(tritylthio)propan-1-OL
CID 10665491
2-(Diphenyl(P-Tolyl)Methylthio)Ethanamine
CID 57380880
2-(Phenyldip-Tolylmethylthio)Ethanamine
CID 71719943
N-(2-(benzhydrylthio)ethyl)butan-1-amine
CID 76332746
2-(Diphenylmethanesulfinyl)ethan-1-amine
CID 13267785
beta-(Benzylthio)ethylamine hydrochloride
CID 31197

Frequently Asked Questions

What is the IUPAC name of 2-tritylsulfanylethanamine;hydrochloride?
The IUPAC name of 2-tritylsulfanylethanamine;hydrochloride (CID 18427267) is 2-tritylsulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-tritylsulfanylethanamine;hydrochloride?
The canonical SMILES for 2-tritylsulfanylethanamine;hydrochloride is Cl.NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-tritylsulfanylethanamine;hydrochloride?
The InChIKey is SLSXAHLRIYRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NS.ClH/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,22H2;1H.
What are the key properties of 2-tritylsulfanylethanamine;hydrochloride?
2-tritylsulfanylethanamine;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tritylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 18427267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).