2-Thiothymidine

CAT: 0926-NT02914-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-NT02914-01Size:25 mg

Selected

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

Quick Request Actions

CAS Number

28585-51-5

MDL Number

MFCD03788706

Smiles

CC1=CN (C (=S) NC1=O) [C@H]2C[C@@H] ([C@H] (O2) CO) O

Molecular Formula

C10H14N2O4S

Molecular Weight

258.3 g/mol

Controlled

Chemical Information

2-Thiothymidine

structure given in first source

CAS Number	28585-51-5
PubChem CID	3005944
IUPAC Name	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
Molecular Formula	C10H14N2O4S
Molecular Weight	258.30
XLogP	-0.6
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	385

SMILES

CC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O

InChI

InChI=1S/C10H14N2O4S/c1-5-3-12(10(17)11-9(5)15)8-2-6(14)7(4-13)16-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,17)/t6-,7+,8+/m0/s1

InChIKey

PISWNSOQFZRVJK-XLPZGREQSA-N

Chemical Structure

2D Structure

CAS: 28585-51-5

CID: 3005944

Formula: C10H14N2O4S

MW: 258.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.30
XLogP3	-0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	258.06742811
Monoisotopic Mass	258.06742811
Topological Polar Surface Area	114 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
NT57661-01	4'-Thiothymidine
NT06341-01	4-Thiothymidine
SFA40974	S4- (2-Cyanoethyl) -5'-o- (dimethoxytrityl) -4-thiothymidine
NT35287	[1',2',3',4',5'-13C5]-4-Thiothymidine
NT158272-01	4-Thiothymidine-5'-triphosphate lithium salt - 100mM aqueous solution
FT11851-01	2-Thiothymine
FA76662-01	6-Aza-2-thiothymine
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine

Catalog	Name
HY-W048500-01	2-Thiothymidine
BA4335-50	4-Thiothymidine
296537-01	4'-Thiothymidine
N-2035	2-Thiothymidine-5'-Triphosphate
N-2041	4-Thiothymidine-5'-Triphosphate
GTR19196039-01	3'-Deoxy-4-thiothymidine