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6-Benzyl-2-thiouracil

CAT: 0572-TRC-B315158-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B315158-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6336-50-1
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
O=C1NC(=S)NC(=C1)Cc2ccccc2
Molecular Formula
C11H10N2OS
Molecular Weight
218.27
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzylthiouracil

Benzylthiouracil is a pyrimidone.

CAS Number6336-50-1
PubChem CID685814
IUPAC Name6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one
Molecular FormulaC11H10N2OS
Molecular Weight218.28
XLogP1.6
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity306
SMILES
C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2
InChI
InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
InChIKey
PNXBXCRWXNESOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzylthiouracil
CAS: 6336-50-1
CID: 685814
Formula: C11H10N2OS
MW: 218.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.28
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass218.05138412
Monoisotopic Mass218.05138412
Topological Polar Surface Area73.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
NB67066-016-Benzyl-2-thiouracil
sc-2682956-Methoxymethyl-2-thiouracil
sc-214383C6-Propyl-2-thiouracil
sc-2071316-Phenyl-2-thiouracil
OR275856-Methyl-2-thiouracil
438787-016-​Methyl-​2-​thiouracil
OR6128-016-Amino-2-thiouracil
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