2,4-Dithiouridine

CAT: 0926-ND10281-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ND10281-04Size:100 mg

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CAS Number

13239-96-8

MDL Number

MFCD12031599

Smiles

C1=CN (C (=S) NC1=S) C2C (C (C (O2) CO) O) O

Molecular Formula

C9H12N2O4S2

Molecular Weight

276.33 g/mol

Controlled

Chemical Information

2,4-Dithiouridine

CAS Number	13239-96-8
PubChem CID	21627889
IUPAC Name	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dithione
Molecular Formula	C9H12N2O4S2
Molecular Weight	276.3
XLogP	-0.8
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	376

SMILES

C1=CN(C(=S)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

InChI

InChI=1S/C9H12N2O4S2/c12-3-4-6(13)7(14)8(15-4)11-2-1-5(16)10-9(11)17/h1-2,4,6-8,12-14H,3H2,(H,10,16,17)/t4-,6-,7-,8-/m1/s1

InChIKey

OKYRYFXQZRFDQL-XVFCMESISA-N

Chemical Structure

2D Structure

CAS: 13239-96-8

CID: 21627889

Formula: C9H12N2O4S2

MW: 276.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.3
XLogP3	-0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	276.02384922
Monoisotopic Mass	276.02384922
Topological Polar Surface Area	149 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	376
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
ND22570-01	2',3'-Dithiouridine
ND16531-01	2',3'-Di (9-phenylxanthen-9-yl) dithiouridine
FD12203-01	4,4'-Dithiopyridine
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
CAA43779-01	2,2',4,4'-Tetrachlorobiphenyl
LCD08774-01	4,4,4-Trifluoro-2,2-dimethylbutanal
DBA67916-01	Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)
FT29044-01	2,2':6',2'-Terpyridine-4,4',4''-tricarboxylic acid
FT76517-01	2,2,4 (or 2,4,4) -Trimethyl-1,6-hexanediamine

Catalog	Name
295933-01	2,4-Dithiouridine
TRC-D494375-1MG	2’,3’-Dithiouridine
296012-01	2',3'-Dithiouridine
TRC-D494115-250MG	2,4-Dithiouridine 2',3',5'-Triacetate
296000-01	2',3'-Di (9-phenylxanthen-9-yl) dithiouridine
010787	2’,3’-Di (9-phenylxanthen-9-yl) dithiouridine
MBS6092645-01	2',3'-Di(9-phenylxanthen-9-yl)dithiouridine
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane