A-205804 2mg

CAT: 0628-A13047-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A13047-2Size:2 mg

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CAS Number

251992-66-2

Chemical Information

A-205804

4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamide is an aryl sulfide.

CAS Number	251992-66-2
PubChem CID	9839311
IUPAC Name	4-(4-methylphenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide
Molecular Formula	C15H12N2OS2
Molecular Weight	300.4
XLogP	3.5
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	358

SMILES

CC1=CC=C(C=C1)SC2=C3C=C(SC3=CN=C2)C(=O)N

InChI

InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)

InChIKey

QQGWEXFLMJGCAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 251992-66-2

CID: 9839311

Formula: C15H12N2OS2

MW: 300.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.4
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	300.03910536
Monoisotopic Mass	300.03910536
Topological Polar Surface Area	110 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	358
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
HY-100226-01	A-205804
2524/10	A 205804