Methimazole Thio-β-D-glucuronide

CAT: 0024-sc-211808Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-211808Size:1 mg

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CAS Number

39038-19-2

Chemical Information

Methimazole Thio-beta-D-glucuronide

CAS Number	39038-19-2
PubChem CID	46782140
IUPAC Name	(3R,6R)-3,4,5-trihydroxy-6-(1-methylimidazol-2-yl)sulfanyloxane-2-carboxylic acid
Molecular Formula	C10H14N2O6S
Molecular Weight	290.30
XLogP	-1
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	346

SMILES

CN1C=CN=C1S[C@@H]2C(C([C@H](C(O2)C(=O)O)O)O)O

InChI

InChI=1S/C10H14N2O6S/c1-12-3-2-11-10(12)19-9-6(15)4(13)5(14)7(18-9)8(16)17/h2-7,9,13-15H,1H3,(H,16,17)/t4?,5-,6?,7?,9-/m1/s1

InChIKey

KENJCTIXBHPRDX-ARXGFGQCSA-N

Chemical Structure

2D Structure

CAS: 39038-19-2

CID: 46782140

Formula: C10H14N2O6S

MW: 290.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.30
XLogP3	-1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	290.05725734
Monoisotopic Mass	290.05725734
Topological Polar Surface Area	150 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	346
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-207648	Ethyl 1-Thio-D-glucuronide
sc-505230	Ethyl 1-Thio-β-D-glucuronide
sc-205747	Methimazole
sc-205747A	Methimazole
sc-218704	Methimazole-d3
sc-218000	D- (-) -Norgestrel β-D-Glucuronide
sc-212916	Scopoletin β-D-Glucuronide
sc-498152	Fluconazole β-D-Glucuronide
sc-213104	Trichloroethyl β-D-Glucuronide
sc-207885	Metronidazole β-D-Glucuronide

Catalog	Name
TRC-M260310-50MG	Methimazole Thio-beta-D-glucuronide
294189-01	Methimazole thio-b-D-glucuronide
AR-T04773-01	Thiamazole thio-b-D-Glucuronide (Methimazole thio-b-D-Glucuronide)
011819	Ethyl 1-Thio-D-glucuronide
TRC-E926805-100MG	Ethyl 1-Thio-β-D-glucuronide
MBS6109587-01	Ethyl 1-Thio-beta-D-glucuronide
T0840-01	Methimazole