TCS 401 free base 10mg

CAT: 0628-A15390-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A15390-10Size:10 mg

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

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CAS Number

243967-42-2

Chemical Information

2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid

CAS Number	243967-42-2
PubChem CID	444766
IUPAC Name	2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
Molecular Formula	C10H10N2O5S
Molecular Weight	270.26
XLogP	-1.7
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	388

SMILES

C1CNCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)

InChIKey

ZIBMATWHOAGNTR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 243967-42-2

CID: 444766

Formula: C10H10N2O5S

MW: 270.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.26
XLogP3	-1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	270.03104260
Monoisotopic Mass	270.03104260
Topological Polar Surface Area	144 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	388
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