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5-Methyl-4'-thiocytidine

CAT: 0931-TNU0151-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0151-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1312295-87-6
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
5-Methyl-4'-thiocytidine is a Nucleoside Derivative - Thio-nucleoside.
Smiles
O[C@H]1[C@@H](S[C@H](CO)[C@H]1O)N2C(=O)N=C(N)C(C)=C2
Molecular Formula
C10H15N3O4S
Molecular Weight
273.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Methyl-4'-thiocytidine
CAS Number1312295-87-6
PubChem CID121487055
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidin-2-one
Molecular FormulaC10H15N3O4S
Molecular Weight273.31
XLogP-1.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity425
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](S2)CO)O)O
InChI
InChI=1S/C10H15N3O4S/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)/t5-,6-,7-,9-/m1/s1
InChIKey
GIXYZICDXQDWAX-JXOAFFINSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-4'-thiocytidine
CAS: 1312295-87-6
CID: 121487055
Formula: C10H15N3O4S
MW: 273.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.31
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass273.07832714
Monoisotopic Mass273.07832714
Topological Polar Surface Area145 Ų
Heavy Atom Count18
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS58257465-Methyl-4'-thiocytidine
NM162882-015-Methyl-4’-thiocytidine
HY-152654-014′-Thiocytidine
GTR19215366-014'-Thiocytidine
HY-1600842′-Deoxy-4′-thiocytidine
GTR19235766-012'-Deoxy-4'-thiocytidine
NT02911-012-Thiocytidine
JBA55337-01Methyl 5-methyl-4-oxohexanoate
RG-M082526-01Methyl 4-Methyl-5-Oxohexanoate
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