Fursultiamine

CAT: 0244-S6614-25mgSize: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0244-S6614-25mgSize:25 mg

Selected

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

Quick Request Actions

CAS Number

804-30-8

Chemical Information

Fursultiamine

Fursultiamine is a member of pyrimidines.

CAS Number	804-30-8
PubChem CID	3002119
IUPAC Name	N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide
Molecular Formula	C17H26N4O3S2
Molecular Weight	398.5
XLogP	0.6
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	26
Formal Charge	0
Complexity	481

SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SSCC2CCCO2)/C

InChI

InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)/b16-12+

InChIKey

JTLXCMOFVBXEKD-FOWTUZBSSA-N

Chemical Structure

2D Structure

CAS: 804-30-8

CID: 3002119

Formula: C17H26N4O3S2

MW: 398.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.5
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	398.14463305
Monoisotopic Mass	398.14463305
Topological Polar Surface Area	152 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	481
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
596312	Fursultiamine
TRC-F865230-250MG	Fursultiamine Hydrochloride
A18200-50	Fursultiamine 50mg
A18200-25	Fursultiamine 25mg