VU 0240551

CAT: 0127-BUP15006-05Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP15006-05Size:100 mg

Selected

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

Quick Request Actions

CAS Number

893990-34-6

Synonyms

N- (4-Methyl-2-thiazolyl) -2-[ (6-phenyl-3-pyridazinyl) thio]acetamide, VU0240551-2-D4

Purity

=98%

Smiles

S(CC(NC=1SC=C(C)N1)=O)C2=CC=C(N=N2)C3=CC=CC=C3

Chemical Information

VU0240551

N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide is a ring assembly and a member of pyridazines.

CAS Number	893990-34-6
PubChem CID	7211972
IUPAC Name	N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
Molecular Formula	C16H14N4OS2
Molecular Weight	342.4
XLogP	3
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	392

SMILES

CC1=CSC(=N1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)

InChIKey

WJRWSLORVIHRNX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 893990-34-6

CID: 7211972

Formula: C16H14N4OS2

MW: 342.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	342.06090343
Monoisotopic Mass	342.06090343
Topological Polar Surface Area	121 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	392
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