Ro 61-8048 5mg

CAT: 0628-A12833-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A12833-5Size:5 mg

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

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CAS Number

199666-03-0

Chemical Information

3,4-Dimethoxy-N-(4-(3-nitrophenyl)-2-thiazolyl)benzenesulfonamide

Ro 61-8048 is a C-nitro compound.

CAS Number	199666-03-0
PubChem CID	5282337
IUPAC Name	3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Molecular Formula	C17H15N3O6S2
Molecular Weight	421.5
XLogP	3.2
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	638

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)

InChIKey

NDPBMCKQJOZAQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199666-03-0

CID: 5282337

Formula: C17H15N3O6S2

MW: 421.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	421.5
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	421.04022755
Monoisotopic Mass	421.04022755
Topological Polar Surface Area	160 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	638
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
B7334-50	Ro 61-8048