Thiophanate-methyl

CAT: 0024-sc-251236Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-251236Size:250 mg

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CAS Number

23564-05-8

Chemical Information

Thiophanate-Methyl

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

CAS Number	23564-05-8
PubChem CID	3032791
IUPAC Name	methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
Molecular Formula	C12H14N4O4S2
Molecular Weight	342.4
XLogP	2.6
Topological Polar Surface Area	165
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	407

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

CAS: 23564-05-8

CID: 3032791

Formula: C12H14N4O4S2

MW: 342.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.4
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	342.04564729
Monoisotopic Mass	342.04564729
Topological Polar Surface Area	165 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-258242	Thiophanate
sc-472984	Thiophanate Ethyl-d10
sc-279432	Methyl thiocyanate
sc-483471	Methyl Acrylamidoglycolate Methyl Ester
sc-484429	Methyl p-methyl-α-chlorophenylacetate
sc-358332	Methyl 4-[ (methylthio) methyl]benzoate
sc-346587	[ (3-bromophenyl) methyl] (methyl) amine
sc-218724	Methyl β-Neuraminic Acid, Methyl Ester
sc-353927	Methyl 4-[ (chlorosulfonyl) methyl]benzoate
sc-353948A	Methyl 4-aminophenyl (methyl) carbamate

Catalog	Name
C6679-1000	Thiophanate-Methyl
HY-B0842R-01	Thiophanate-Methyl (Standard)
467554-01	Thiophanate-methyl-d6
SC-NC-061	Thiophanate-methyl Rapid Test Kit
CS-O-30793	Thiophanate
467552-01	Thiophanate discontinued
CS-O-61281	Thiophanate impurity 1
CS-O-61282	Thiophanate impurity 2