Mizolastine Impurity 13

CAT: 1596-AR-M04980-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-M04980-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1628606-29-0

Molecular Formula

C12H19BN2O3S

Molecular Weight

282.17

API Name

Mizolastine

Chemical Information

3-Methyl-2-(methylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4(3H)-one

CAS Number	1628606-29-0
PubChem CID	90417922
IUPAC Name	3-methyl-2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-one
Molecular Formula	C12H19BN2O3S
Molecular Weight	282.17
Topological Polar Surface Area	76.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	458

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N(C2=O)C)SC

InChI

InChI=1S/C12H19BN2O3S/c1-11(2)12(3,4)18-13(17-11)8-7-14-10(19-6)15(5)9(8)16/h7H,1-6H3

InChIKey

GIJGIDXVYIFVRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1628606-29-0

CID: 90417922

Formula: C12H19BN2O3S

MW: 282.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.17
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	282.1209438
Monoisotopic Mass	282.1209438
Topological Polar Surface Area	76.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	458
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