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Compound FL0105

CAT: 0931-FL0105-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0105-02Size:25 mg
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CAS Number
117642-16-7
Bioactivity
Compound FL0105, with CAS No. 117642-16-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0105 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
CCOC(=O)C1=C(N)SC2=C1CCOC2
Molecular Formula
C10H13NO3S
Molecular Weight
227.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CAS Number117642-16-7
PubChem CID10987982
IUPAC Nameethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Molecular FormulaC10H13NO3S
Molecular Weight227.28
XLogP1.7
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity249
SMILES
CCOC(=O)C1=C(SC2=C1CCOC2)N
InChI
InChI=1S/C10H13NO3S/c1-2-14-10(12)8-6-3-4-13-5-7(6)15-9(8)11/h2-5,11H2,1H3
InChIKey
RRKGPBYCHQFJEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CAS: 117642-16-7
CID: 10987982
Formula: C10H13NO3S
MW: 227.28
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight227.28
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass227.06161445
Monoisotopic Mass227.06161445
Topological Polar Surface Area89.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity249
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

Related Products

CatalogName
FL0185-01Compound FL0185
FL0115-01Compound FL0115
FL0101-01Compound FL0101
FL0155-01Compound FL0155
FL0145-01Compound FL0145
FL0107-01Compound FL0107
FL0165-01Compound FL0165
FL0108-01Compound FL0108
FL0106-01Compound FL0106
FL0100-01Compound FL0100

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