AG00DECD

51767-39-6 | ALBENDAZOLE SULFOXIDE

AG00DECD

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CAS Number	51767-39-6
Catalog Number	AG00DECD(AGN-PC-0LBXJZ)
Chemical Name	ALBENDAZOLE SULFOXIDE
IUPAC Name	N-(4-hydroxyphenyl)methanesulfonamide
InChI	InChI=1S/C7H9NO3S/c1-12(10,11)8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3
InChI Key	YJASRJZSSUOGKB-UHFFFAOYSA-N
MDL Number	MFCD00720883
Molecular Formula	C7H9NO3S
Molecular Weight	187.2163
SMILES	OC1=CC=C(C=C1)NS(=O)(=O)C
Synonyms	N-(4-hydroxyphenyl)methanesulfonamide, 51767-39-6, Albendazle Sulfoxide, YJASRJZSSUOGKB-UHFFFAOYSA-N, N-(4-hydroxyphenyl)-methanesulfonamide, METHANESULFONAMIDE, N-(4-HYDROXYPHENYL)-, p-methanesulfonamidophenol, AC1NAV2Q, AC1Q4GQA, 4-methylsulfonylaminophenol, Oprea1_693795, 4-(methylsulfonylamino)phenol, SCHEMBL518114, CTK7J9447, DTXSID90403647, BCP23167, ZINC3074663, ANW-66552, (4-hydroxyphenyl)(methylsulfonyl)amine, AKOS001106068, MB01417, MCULE-3452517972, NE28399, thanesulfonamide, N-(4-hydroxyphenyl)-, AJ-44403, DB-002134, TC-155297, FT-0748015, ST51043951, EN300-37486, AN-652/40225843, I01-1657, N-(4-hydroxy-phenyl)-methanesulfonamide, AldrichCPR, Q-103480, Z45652935, Albendazole sulfoxide, C12H15N3O3S, ZINC03074663, CID4483147, 39115-96-3,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.213g/mol
Monoisotopic Mass	187.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number