Tiotropium EP Impurity E

CAT: 1299-RM-T201605-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T201605-01Size:10 mg

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CAS Number

26447-85-8

Synonyms

Methyl 2-hydroxy-2,2-dithiophen-2-ylacetate

Molecular Formula

C11H10O3S2

Molecular Weight

254.33

Target Alternative Name

Tiotropium

Product Name Synonym

Methyl 2-hydroxy-2,2-dithiophen-2-ylacetate

Chemical Information

Methyl alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetate

See also: Di-2-thienylglycolic acid methyl ester (annotation moved to).

CAS Number	26447-85-8
PubChem CID	11414137
IUPAC Name	methyl 2-hydroxy-2,2-dithiophen-2-ylacetate
Molecular Formula	C11H10O3S2
Molecular Weight	254.3
XLogP	2.1
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	254

SMILES

COC(=O)C(C1=CC=CS1)(C2=CC=CS2)O

InChI

InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3

InChIKey

SYHWYWHVEQQDMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26447-85-8

CID: 11414137

Formula: C11H10O3S2

MW: 254.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.3
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	254.00713652
Monoisotopic Mass	254.00713652
Topological Polar Surface Area	103 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	254
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
RM-T201601-01	Tiotropium EP Impurity A
RM-T201610-01	Tiotropium EP Impurity J
RM-T201607-01	Tiotropium EP Impurity G
RM-T201603-01	Tiotropium EP Impurity C
RM-T201611-01	Tiotropium EP Impurity K
RM-T201606-01	Tiotropium EP Impurity F
RM-T201609-01	Tiotropium EP Impurity I
RM-T201608-01	Tiotropium Bromide EP Impurity H
RM-T201631-01	Tiotropium Bromide EP Impurity H Bromide
RM-T201619-01	Tiotropium Bromide EP Impurity H-D3

Catalog	Name
CS-O-37383	Tiotropium Impurity N
CS-T-21133	Tiotropium EP Impurity A
CS-O-13760	Tiotropium EP Impurity J
CS-O-13755	Tiotropium EP Impurity H
CS-O-08309	Tiotropium EP Impurity E
HY-166887S	Tiotropium bromide impurity-d3
467661	Tiotropium Trifluoroacetic Acid Impurity
AR-T05261-01	Tiotropium Bromide Impurity 13
CS-O-13759	Tiotropium EP Impurity I
CS-O-08310	Tiotropium EP Impurity F