4'-Thiothymidine

CAT: 0926-NT57661-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-NT57661-01Size:100 mg

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CAS Number

134111-35-6

Synonyms

4'-Thio-2'-deoxythymidine

Smiles

CC1=CN (C (=O) NC1=O) [C@@H]2C[C@@H] ([C@H] (S2) CO) O

Molecular Formula

C10H14N2O4S

Molecular Weight

258.30 g/mol

Controlled

Chemical Information

1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

CAS Number	134111-35-6
PubChem CID	10923208
IUPAC Name	1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Formula	C10H14N2O4S
Molecular Weight	258.30
XLogP	-0.4
Topological Polar Surface Area	115
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(=O)NC1=O)[C@@H]2C[C@@H]([C@H](S2)CO)O

InChI

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

InChIKey

IVUDHNYLTWOARV-RNJXMRFFSA-N

Chemical Structure

2D Structure

CAS: 134111-35-6

CID: 10923208

Formula: C10H14N2O4S

MW: 258.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.30
XLogP3	-0.4
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	115 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
NT02914-01	2-Thiothymidine
FT11851-01	2-Thiothymine
JXB85075-01	4,4,4-Trifluorobutanethioamide
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide
AAA40687	4,4,4-Trifluorobutanal
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine
BAA53282-01	4- (4-Methylbenzenesulfonate) -4-isoquinolinol

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