PythiDC

CAT: 0607-BA8034-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8034-25Size:25 mg

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

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CAS Number

1821370-71-1

Form

A solid

Molecular Formula

C10H6N2O4S

Molecular Weight

250.23

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

pythiDC

CAS Number	1821370-71-1
PubChem CID	122554526
IUPAC Name	2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
Molecular Formula	C10H6N2O4S
Molecular Weight	250.23
XLogP	1
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	325

SMILES

C1=CC(=NC=C1C(=O)O)C2=NC=C(S2)C(=O)O

InChI

InChI=1S/C10H6N2O4S/c13-9(14)5-1-2-6(11-3-5)8-12-4-7(17-8)10(15)16/h1-4H,(H,13,14)(H,15,16)

InChIKey

ISYUGJYTQIZJHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1821370-71-1

CID: 122554526

Formula: C10H6N2O4S

MW: 250.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.23
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	250.00482785
Monoisotopic Mass	250.00482785
Topological Polar Surface Area	129 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	325
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