1-[(2,2-Dichloro-1-isothiocyanatovinyl)sulfonyl]-4-methylbenzene

Base Information

• Chemical Name: 1-[(2,2-Dichloro-1-isothiocyanatovinyl)sulfonyl]-4-methylbenzene
• CAS No.: 147622-09-1
• Molecular Formula: C10H7Cl2NO2S2
• Molecular Weight: 308.20400
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70350509
• Mol file: 147622-09-1.mol

Synonyms:147622-09-1;1-[(2,2-Dichloro-1-isothiocyanatovinyl)sulfonyl]-4-methylbenzene;Benzene, 1-[(2,2-dichloro-1-isothiocyanatoethenyl)sulfonyl]-4-methyl-;1-(2,2-dichloro-1-isothiocyanatoethenyl)sulfonyl-4-methylbenzene;1-(2,2-Dichloro-1-isothiocyanato-ethenesulfonyl)-4-methyl-benzene;1-(2,2-dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene;C10H7Cl2NO2S2;DTXSID70350509;STK400707;AKOS000122275;1-tosyl-2,2-dichloroethenyl isothiocyanate;EN300-01223;F0749-0032;1-[(2,2-dichloro-1-isothiocyanatoethenyl)sulfonyl]-4-methylbenzene

Chemical Property of 1-[(2,2-Dichloro-1-isothiocyanatovinyl)sulfonyl]-4-methylbenzene

Chemical Property:

• PSA: 86.97000
• LogP: 4.55650
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 306.9295262
• Heavy Atom Count: 17
• Complexity: 449

Purity/Quality:

1-[(2,2-Dichloro-1-isothiocyanatovinyl)sulfonyl]-4-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=C(Cl)Cl)N=C=S