RS 0481

CAT: 0127-BUP02795-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02795-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

126769-16-2

Synonyms

RS-0481, RS0481

Purity

=98%

Smiles

C(=O)(N1[C@@H](C(N[C@@H](C)C2=CC=CC=C2)=O)CSC1)C3=CC=CC=C3

Chemical Information

RS 0481

RN given refers to (R*,R*) isomer; RN for cpd without isomeric designation not available (7/91)

CAS Number	126769-16-2
PubChem CID	5747899
IUPAC Name	(4R)-3-benzoyl-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
Molecular Formula	C19H20N2O2S
Molecular Weight	340.4
XLogP	3.2
Topological Polar Surface Area	74.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	445

SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2CSCN2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2S/c1-14(15-8-4-2-5-9-15)20-18(22)17-12-24-13-21(17)19(23)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,22)/t14-,17+/m1/s1

InChIKey

MEXWLVVJOPSWLN-PBHICJAKSA-N

Chemical Structure

2D Structure

CAS: 126769-16-2

CID: 5747899

Formula: C19H20N2O2S

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	340.12454906
Monoisotopic Mass	340.12454906
Topological Polar Surface Area	74.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	445
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M34702-01	RS 0481
HY-123221	RS-0481