Avanafil Impurity 85

CAT: 1299-RM-A164212-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164212-02Size:25 mg

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CAS Number

53554-29-3

Synonyms

Ethyl 4-hydroxy-2- (methylthio) pyrimidine-5-carboxylate

Molecular Formula

C8H10N2O3S

Molecular Weight

214.24

Target Alternative Name

Avanafil

Product Name Synonym

Ethyl 4-hydroxy-2- (methylthio) pyrimidine-5-carboxylate

Chemical Information

Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate

CAS Number	53554-29-3
PubChem CID	239049
IUPAC Name	ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Molecular Formula	C8H10N2O3S
Molecular Weight	214.24
XLogP	0.6
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	323

SMILES

CCOC(=O)C1=CN=C(NC1=O)SC

InChI

InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)

InChIKey

HDIWKNXVBQPJCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53554-29-3

CID: 239049

Formula: C8H10N2O3S

MW: 214.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.24
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	214.04121336
Monoisotopic Mass	214.04121336
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	323
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-A164101-01	Avanafil Impurity A
RM-A164108-01	Avanafil Impurity H (R-Avanafil)
RM-A164183-01	Avanafil Impurity 57
RM-A164147-01	Avanafil Impurity 21
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70
RM-A164197-01	Avanafil Impurity 71
RM-A164199-01	Avanafil Impurity 73
RM-A164201-01	Avanafil Impurity 74