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2-(Tritylthio)ethanamine

CAT: 0572-TRC-T890040-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T890040-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1095-85-8
Synonyms
2-(Triphenylmethylthio)ethylamine; 2-(Tritylmercapto)ethanamine; 2-(Tritylsulfanyl)-1-ethanamine; 2-(Tritylthio)ethanamine; 2-(Tritylthio)ethylamine; NSC 96704; S-(Triphenylmethyl)-2-aminoethanethiol; S-Trityl-2-mercaptoethylamine; S-Tritylcysteamine
Hazard Statement
No Data Available
Smiles
NCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Molecular Formula
C21H21NS
Molecular Weight
319.46
InChI
InChI=1S/C21H21NS/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
Additionnal Information
IUPAC name: 2-(tritylthio)ethan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

S-Tritylcysteamine
CAS Number1095-85-8
PubChem CID262764
IUPAC Name2-tritylsulfanylethanamine
Molecular FormulaC21H21NS
Molecular Weight319.5
XLogP4.6
Topological Polar Surface Area51.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity279
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN
InChI
InChI=1S/C21H21NS/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
InChIKey
XZOWICPSVWHCTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-Tritylcysteamine
CAS: 1095-85-8
CID: 262764
Formula: C21H21NS
MW: 319.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass319.13947085
Monoisotopic Mass319.13947085
Topological Polar Surface Area51.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
414414-012- (Tritylthio) ethanamine
OR1034389-012- (Tritylthio) ethanamine (hydrochloride)
OR1058383-012- (Tritylthio) ethanol
OR1050982-01Methyl 2- (tritylthio) acetate
OR73031-012- (Tritylthio) acetic acid
OR1072232-013- (Tritylthio) propanal
HY-402853-013- (Tritylthio) propylamine
HEC287502-Hydroxy-3- (tritylthio) propanoic acid
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