(phenylmethyl) carbamimidothioate; 2,2,2-tris(chloranyl)-1-oxidanyl-ethanesulfonic acid

Systemtic Name: (phenylmethyl) carbamimidothioate; 2,2,2-tris(chloranyl)-1-oxidanyl-ethanesulfonic acid Openeye Name: 2-benzylisothiourea; 2,2,2-trichloro-1-hydroxy-ethanesulfonic acid CAS Name: carbamimidothioic acid (phenylmethyl) ester; 2,2,2-trichloro-1-hydroxyethanesulfonic acid IUPAC Name: benzyl carbamimidothioate; 2,2,2-trichloro-1-hydroxyethanesulfonic acid Traditional Name: 2-benzylisothiourea; 2,2,2-trichloro-1-hydroxy-ethanesulfonic acid Formula: C10H13Cl3N2O4S2 MolecularWeight: 395.71022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=N)N.C(C(Cl)(Cl)Cl)(O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=N)N.C(C(Cl)(Cl)Cl)(O)S(=O)(=O)O

InChI

InChI=1S/C8H10N2S.C2H3Cl3O4S/c9-8(10)11-6-7-4-2-1-3-5-7;3-2(4,5)1(6)10(7,8)9/h1-5H,6H2,(H3,9,10);1,6H,(H,7,8,9)