Mesosulfuron Impurity 4

CAT: 1596-AR-M04272-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04272-06Size:250 Units

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CAS Number

888225-62-5

Molecular Formula

C9H10N2O5S2

Molecular Weight

290.31

API Name

Mesosulfuron

Chemical Information

N-[(2,3-Dihydro-1,1-dioxido-3-oxo-1,2-benzisothiazol-6-yl)methyl]methanesulfonamide

CAS Number	888225-62-5
PubChem CID	91928409
IUPAC Name	N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide
Molecular Formula	C9H10N2O5S2
Molecular Weight	290.3
XLogP	-0.2
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	542

SMILES

CS(=O)(=O)NCC1=CC2=C(C=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C9H10N2O5S2/c1-17(13,14)10-5-6-2-3-7-8(4-6)18(15,16)11-9(7)12/h2-4,10H,5H2,1H3,(H,11,12)

InChIKey

IQGXFBWBHSRBEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 888225-62-5

CID: 91928409

Formula: C9H10N2O5S2

MW: 290.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.3
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	290.00311377
Monoisotopic Mass	290.00311377
Topological Polar Surface Area	126 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	542
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
TRC-M314120-10MG	Mesosulfuron
GTR19173208-01	Mesosulfuron-methyl
CS-EE-00042	Mesosulfuron methyl
HY-126987R-01	Mesosulfuron-methyl (Standard)
TRC-M225256-25MG	Mesosulfuron-methyl-d6
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-R210208-01	Rivaroxaban Impurity I (Potential Impurity)
RM-R210210-01	Rivaroxaban Impurity Iii (Potential Impurity)
CS-O-41225	Solifenacin EP Impurity A Nitroso Impurity