Acibenzolar-S-methyl

Acibenzolar-S-methyl is a fungicide that works by activating a plant's own defense system by increasing the transcription of W-box controlled genes such as CAD1, NPR1 and PR2. It is a methyl derivative of acibenzolar.

Acibenzolar-S-methyl[1]

Skeletal formula of acibenzolar-S-methyl Space-filling model of the acibenzolar-S-methyl molecule
Names
IUPAC name S-Methyl 1,2,3-benzothiadiazole-7-carbothioate
Systematic IUPAC name 1,2,3-Benzothiadiazol-7-yl(methylsulfanyl)methanone
Identifiers
CAS Number	135158-54-2 Y
3D model (JSmol)	Interactive image Interactive image
ChEBI	CHEBI:73178 N
ChEMBL	ChEMBL425055 Y
ChemSpider	77928 Y
ECHA InfoCard	100.101.876
EC Number	420-050-0
MeSH	S-methyl+benzo(1,2,3)thiadiazole-7-carbothioate
PubChem CID	86412
UNII	BCW6119347 Y
CompTox Dashboard (EPA)	DTXSID1032519
InChI InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3 Y Key: UELITFHSCLAHKR-UHFFFAOYSA-N Y InChI=1/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3 Key: UELITFHSCLAHKR-UHFFFAOYAA
SMILES CSC(=O)c1cccc2nnsc12 CSC(=O)C1=C2SN=NC2=CC=C1
Properties
Chemical formula	C8H6N2OS2
Molar mass	210.27 g·mol−1
Appearance	Pale, light orange, opaque crystals
Melting point	133 °C (271 °F; 406 K)
Solubility in water	7.7 mg dm−3
log P	2.741
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references