Jedi2

CAT: 0127-BUP03451-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03451-06Size:200 mg

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

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CAS Number

651005-90-2

Purity

=95%

Smiles

Cc1oc(cc1C(O)=O)-c1cccs1

Chemical Information

2-Methyl-5-(2-thienyl)-3-furancarboxylic acid

2-Methyl-5-(2-thienyl)-3-furoic acid is a furoic acid.

CAS Number	651005-90-2
PubChem CID	2796026
IUPAC Name	2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid
Molecular Formula	C10H8O3S
Molecular Weight	208.24
XLogP	2.3
Topological Polar Surface Area	78.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	231

SMILES

CC1=C(C=C(O1)C2=CC=CS2)C(=O)O

InChI

InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)

InChIKey

YXDCRSXNEOKXDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 651005-90-2

CID: 2796026

Formula: C10H8O3S

MW: 208.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.24
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	208.01941529
Monoisotopic Mass	208.01941529
Topological Polar Surface Area	78.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
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

Catalog	Name
Fr13138-01	Jedi2