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Propylthiouracil

CAT: 0931-T1309-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T1309-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51-52-5
Target
Others, Thyroid hormone receptor (THR)
Related Pathways
Others, Endocrinology/Hormones
Purity
0.9994
Bioactivity
Propylthiouracil (6-n-Propylthiouracil) is a thyroid peroxidase inhibitor and also a 5' -deiodinase inhibitor.
Smiles
CCCC1=CC(O)=NC(S)=N1
Molecular Formula
C7H10N2OS
Molecular Weight
170.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propylthiouracil

Propylthiouracil can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number51-52-5
PubChem CID657298
IUPAC Name6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
Molecular FormulaC7H10N2OS
Molecular Weight170.23
XLogP0.8
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity222
SMILES
CCCC1=CC(=O)NC(=S)N1
InChI
InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
KNAHARQHSZJURB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propylthiouracil
CAS: 51-52-5
CID: 657298
Formula: C7H10N2OS
MW: 170.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.23
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.05138412
Monoisotopic Mass170.05138412
Topological Polar Surface Area73.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity222
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

Alternative Products

CatalogName
BUP14156Propylthiouracil

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