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Compound FL0100

CAT: 0931-FL0100-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0100-03Size:25 mg
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CAS Number
891192-95-3
Bioactivity
Compound FL0100, with CAS No. 891192-95-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0100 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC(C)(C)OC(=O)N1CCS[C@H]1C(O)=O
Molecular Formula
C9H15NO4S
Molecular Weight
233.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-3-Boc-thiazolidine-2-carboxylic acid
CAS Number891192-95-3
PubChem CID14775612
IUPAC Name(2S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-2-carboxylic acid
Molecular FormulaC9H15NO4S
Molecular Weight233.29
XLogP1.3
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
CC(C)(C)OC(=O)N1CCS[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-4-5-15-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKey
HYAXPNDMEODKHI-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (S)-3-Boc-thiazolidine-2-carboxylic acid
CAS: 891192-95-3
CID: 14775612
Formula: C9H15NO4S
MW: 233.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.29
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass233.07217913
Monoisotopic Mass233.07217913
Topological Polar Surface Area92.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0101-01Compound FL0101
FL0107-01Compound FL0107
FL0105-01Compound FL0105
FL0200-01Compound FL0200
FL0170-01Compound FL0170
FL0108-01Compound FL0108
FL0106-01Compound FL0106
FL0185-01Compound FL0185
FL0158-01Compound FL0158
FL0121-01Compound FL0121

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