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YS 3025

CAT: 0013-GTR19192239Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192239Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YS 3025 is a biochemical compound utilized in research applications. It serves as a tool for investigating biological mechanisms in both in vitro and in vivo experimental models, supporting studies in fields such as cell biology and pharmacology.
CAS Number
138320-33-9
Smiles
O=C (SC (C (=O) N1CSCC1C (=O) O) C) C=2SC=CC2
Molecular Formula
C12H13NO4S3
Molecular Weight
331.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YS 3025

structure given in first source

CAS Number138320-33-9
PubChem CID132147
IUPAC Name3-[2-(thiophene-2-carbonylsulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC12H13NO4S3
Molecular Weight331.4
XLogP2.4
Topological Polar Surface Area154
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity418
SMILES
CC(C(=O)N1CSCC1C(=O)O)SC(=O)C2=CC=CS2
InChI
InChI=1S/C12H13NO4S3/c1-7(20-12(17)9-3-2-4-19-9)10(14)13-6-18-5-8(13)11(15)16/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKey
DZGHGYXXFVHASM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YS 3025
CAS: 138320-33-9
CID: 132147
Formula: C12H13NO4S3
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass331.00067142
Monoisotopic Mass331.00067142
Topological Polar Surface Area154 Ų
Heavy Atom Count20
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T35275YS 3025
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