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2-Thiocytidine

CAT: 0572-TRC-T344418-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344418-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13239-97-9
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
NC1=NC(=S)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Molecular Formula
C9H13N3O4S
Molecular Weight
259.28
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Thiocytidine

2-thiocytidine is a member of cytidines.

CAS Number13239-97-9
PubChem CID3011746
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
Molecular FormulaC9H13N3O4S
Molecular Weight259.28
XLogP-1.5
Topological Polar Surface Area144
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity386
SMILES
C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1
InChIKey
RHFUOMFWUGWKKO-XVFCMESISA-N
Chemical Structure
2D Structure
2D structure of 2-Thiocytidine
CAS: 13239-97-9
CID: 3011746
Formula: C9H13N3O4S
MW: 259.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.28
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass259.06267708
Monoisotopic Mass259.06267708
Topological Polar Surface Area144 Ų
Heavy Atom Count17
Formal Charge0
Complexity386
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
NT02911-012-Thiocytidine
T85405-012'-Deoxy-4'-thiocytidine
HY-1600842′-Deoxy-4′-thiocytidine
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TFA33813-01Trans-2'-deoxy-3'-oxa-4'-thiocytidine (apricitabine)
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