4’-Thiouridine

CAT: 0926-FT144672-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FT144672-01Size:10 mg

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CAS Number

6741-73-7

Synonyms

1- (4-Thio-beta-D-ribofuranosyl) uracil

MDL Number

MFCD22666335

Smiles

C1=CN (C (=O) NC1=O) [C@H]2[C@@H] ([C@@H] ([C@H] (S2) CO) O) O

Molecular Formula

C9H12N2O5S

Molecular Weight

260.27 g/mol

Controlled

Chemical Information

4'-Thiouridine

CAS Number	6741-73-7
PubChem CID	11219149
IUPAC Name	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Molecular Formula	C9H12N2O5S
Molecular Weight	260.27
XLogP	-1.2
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	374

SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](S2)CO)O)O

InChI

InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1

InChIKey

MUSPKJVFRAYWAR-XVFCMESISA-N

Chemical Structure

2D Structure

CAS: 6741-73-7

CID: 11219149

Formula: C9H12N2O5S

MW: 260.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.27
XLogP3	-1.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	260.04669266
Monoisotopic Mass	260.04669266
Topological Polar Surface Area	135 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	374
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
NT02881-01	2-Thiouridine
NM159492-01	5-Methoxycarbonylmethyl-2-thiouridine
NM08039-01	5-Methyl-2-thiouridine
NA08057-01	6-Aza-2-thiouridine
FT184280-01	5-Taurinomethyl-2-thiouridine
NM159475-01	5- (Methylaminomethyl) -2-thiouridine
NC159484	5-Carboxymethyl-2-thiouridine
ND29354	5'-O-DMT-2-thiouridine
NM159407-01	2'-O-Methyl-2-thiouridine
FD144662-01	2’,3’-Di-O-isopropylidene-2-thiouridine