343375-70-2
5-METHYL-3-[(4-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE
Name5-METHYL-3-[(4-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE
1Identification
【Name】
5-METHYL-3-[(4-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE
【CAS】
【MDL】
MFCD00138554
【English Synonyms】
【Formula】
C13 H12 N2 O2 S2
【MolWeight】
292.382
【Inchi】
InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)8-19(16,17)13-12(7-14)10(2)18-15-13/h3-6H,8H2,1-2H3
【InChIKey】
InChIKey=MLKDMLDPXRXKFT-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)CS(=O)(=O)c2c(c(sn2)C)C#N
【MOL File】
5-METHYL-3-[(4-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-3-[(4-METHYLBENZYL)SULFONYL]-4-ISOTHIAZOLECARBONITRILE.cml