Tinoridine

CAT: 0127-BUP11793-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11793-02Size:100 mg

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CAS Number

24237-54-5

Synonyms

Ethyl 2-amino-6-benzyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

Purity

=95%

Smiles

CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12

Chemical Information

Tinoridine

Tinoridine is a thienopyridine.

CAS Number	24237-54-5
PubChem CID	5480
IUPAC Name	ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Molecular Formula	C17H20N2O2S
Molecular Weight	316.4
XLogP	3.4
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	387

SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N

InChI

InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3

InChIKey

PFENFDGYVLAFBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24237-54-5

CID: 5480

Formula: C17H20N2O2S

MW: 316.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	316.12454906
Monoisotopic Mass	316.12454906
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes