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Thiophanate-Methyl

CAT: 0804-HY-B0842-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0842-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thiophanate-Methyl is a systematic fungicide[1].
CAS Number
23564-05-8
UNSPSC
12352005
Hazard Statement
H317, H332, H341, H350, H360, H410
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/thiophanate-methyl.html
Purity
99.86
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
COC(NC(NC1=C(NC(NC(OC)=O)=S)C=CC=C1)=S)=O
Molecular Formula
C12H14N4O4S2
Molecular Weight
342.39
Precautions
H317, H332, H341, H350, H360, H410
References & Citations
[1]Sharma G, et al. Guar gum-crosslinked-Soya lecithin nanohydrogel sheets as effective adsorbent for the removal of thiophanate methyl fungicide. Int J Biol Macromol. 2018 Jul 15;114:295-305.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Thiophanate-Methyl

Thiophanate Methyl can cause female reproductive toxicity and male reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number23564-05-8
PubChem CID3032791
IUPAC Namemethyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
Molecular FormulaC12H14N4O4S2
Molecular Weight342.4
XLogP2.6
Topological Polar Surface Area165
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity407
SMILES
COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC
InChI
InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
InChIKey
QGHREAKMXXNCOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiophanate-Methyl
CAS: 23564-05-8
CID: 3032791
Formula: C12H14N4O4S2
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass342.04564729
Monoisotopic Mass342.04564729
Topological Polar Surface Area165 Ų
Heavy Atom Count22
Formal Charge0
Complexity407
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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