Thiamine EP Impurity E

CAT: 1299-RM-T090905-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T090905-04Size:100 mg

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CAS Number

299-35-4

Synonyms

3- ((4-amino-2-methylpyrimidin-5-yl) methyl) -5- (2-hydroxyethyl) -4-methylthiazole-2 (3H) -thione

Molecular Formula

C12H16N4OS2

Molecular Weight

296.41

Target Alternative Name

Thiamine

Product Name Synonym

3- ((4-amino-2-methylpyrimidin-5-yl) methyl) -5- (2-hydroxyethyl) -4-methylthiazole-2 (3H) -thione

Chemical Information

Thiothiamine

CAS Number	299-35-4
PubChem CID	67530
IUPAC Name	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
Molecular Formula	C12H16N4OS2
Molecular Weight	296.4
XLogP	0.8
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	388

SMILES

CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO

InChI

InChI=1S/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)

InChIKey

SQOCQQPFEFRKBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 299-35-4

CID: 67530

Formula: C12H16N4OS2

MW: 296.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.4
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	296.07655349
Monoisotopic Mass	296.07655349
Topological Polar Surface Area	133 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	388
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-T090901-01	Thiamine EP Impurity A
RM-T090903-01	Thiamine EP Impurity C
RM-T090904-01	Thiamine EP Impurity D
RM-T090902-01	Thiamine EP Impurity B
RM-T090906-01	Thiamine EP Impurity F
RM-T090908-01	Thiamine EP Impurity H
RM-T090907-01	Thiamine EP Impurity G
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E