SB 268262

CAT: 0024-sc-362793ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-362793ASize:50 mg

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

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CAS Number

217438-17-0

Chemical Information

N-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide

CAS Number	217438-17-0
PubChem CID	6918567
IUPAC Name	N-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide
Molecular Formula	C18H15N3O4S2
Molecular Weight	401.5
XLogP	3.3
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	585

SMILES

CC1=CC=CC=C1N(C)C(=O)C2=CC(=C(C=C2)S(=O)C3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S2/c1-12-5-3-4-6-14(12)20(2)17(22)13-7-8-16(15(11-13)21(23)24)27(25)18-19-9-10-26-18/h3-11H,1-2H3

InChIKey

YXHLPJQQPOMPGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 217438-17-0

CID: 6918567

Formula: C18H15N3O4S2

MW: 401.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.5
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	401.05039832
Monoisotopic Mass	401.05039832
Topological Polar Surface Area	144 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	585
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B7645-50	SB 268262
SIA43817-01	SB-268262