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3- (Tritylthio) propylamine

CAT: 0804-HY-402853-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-402853-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3- (Tritylthio) propylamine (Compound 32) is a methyl-containing analogue of S-Trityl-L-cysteine.
CAS Number
426828-04-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Derivative
Related Pathways
Others
Field of Research
Others
Purity
95.0
Smiles
NCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Molecular Formula
C22H23NS
Molecular Weight
333.49
Precautions
H302, H315, H319, H335
References & Citations
[1]Debonis S, et al. Structure-activity relationship of S-trityl-L-cysteine analogues as inhibitors of the human mitotic kinesin Eg5. J Med Chem. 2008 Mar 13;51 (5) :1115-25.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(Tritylthio)propylamine
CAS Number426828-04-8
PubChem CID24806228
IUPAC Name3-tritylsulfanylpropan-1-amine
Molecular FormulaC22H23NS
Molecular Weight333.5
XLogP5
Topological Polar Surface Area51.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity292
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCCN
InChI
InChI=1S/C22H23NS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2
InChIKey
MTMAYHULNPMPNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Tritylthio)propylamine
CAS: 426828-04-8
CID: 24806228
Formula: C22H23NS
MW: 333.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass333.15512091
Monoisotopic Mass333.15512091
Topological Polar Surface Area51.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity292
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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