Sulbutiamine

CAT: 1568-C10802-25mgSize: 25 mgDry Ice: NoHazardous: No

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CAT#:1568-C10802-25mgSize:25 mg

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

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CAS Number

3286-46-2

Synonyms

Bisibutiamine, Vitaberin, Youvitan

Target

Vitamin

Applications

Metabolism

Smiles

CC1=NC=C (C (=N1) N) CN (C=O) C (=C (CCOC (=O) C (C) C) SSC (=C (C) N (CC2=CN=C (N=C2N) C) C=O) CCOC (=O) C (C) C) C

Molecular Formula

C32H46N8O6S2

Additionnal Information

Sulbutiamine is a synthetic derivative of thiamine (vitamin B1), belonging to a class of supplements shown to help improve memory, learning capacity, decision-making, concentration, and focus.

Storage Conditions

3 years -20°C powder

Chemical Information

Sulbutiamine

Bisibuthiamine is an aminopyrimidine.

CAS Number	3286-46-2
PubChem CID	3002120
IUPAC Name	[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate
Molecular Formula	C32H46N8O6S2
Molecular Weight	702.9
XLogP	2.7
Topological Polar Surface Area	247
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	19
Heavy Atom Count	48
Formal Charge	0
Complexity	1050

SMILES

CC1=NC=C(C(=N1)N)CN(/C(=C(/SS/C(=C(/N(C=O)CC2=CN=C(N=C2N)C)\C)/CCOC(=O)C(C)C)\CCOC(=O)C(C)C)/C)C=O

InChI

InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+

InChIKey

CKHJPWQVLKHBIH-GPAWKIAZSA-N

Chemical Structure

2D Structure

CAS: 3286-46-2

CID: 3002120

Formula: C32H46N8O6S2

MW: 702.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	702.9
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	19
Exact Mass	702.29817356
Monoisotopic Mass	702.29817356
Topological Polar Surface Area	247 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
021146	Sulbutiamine
A17552-1000	Sulbutiamine 1g
A17552-100	Sulbutiamine 100mg
HY-B2229S	Sulbutiamine-d14
A17552-500	Sulbutiamine 500mg

Sulbutiamine

Chemical Information

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