1112-48-7 Purity
97%
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Specification
The molecular formula of Thiocyclam Hydrogen Oxalate is C7H13NO4S3.
Some synonyms for Thiocyclam Hydrogen Oxalate include Thiocyclam oxalate, 31895-22-4, and Evisekt.
The molecular weight of Thiocyclam Hydrogen Oxalate is 271.4 g/mol.
The component compounds are CID 35970 (Thiocyclam) and CID 971 (Oxalic Acid).
The IUPAC name is N,N-dimethyltrithian-5-amine;oxalic acid.
The InChIKey is ICTQUFQQEYSGGJ-UHFFFAOYSA-N.
The Canonical SMILES is CN(C)C1CSSSC1.C(=O)(C(=O)O)O.
Some identifiers include CAS number 31895-22-4, UNII G3LOM1T4X9, and ChEMBL ID CHEMBL2270412.
Some computed properties include hydrogen bond donor count of 2, hydrogen bond acceptor count of 8, and rotatable bond count of 2.
The topological polar surface area is 154 Å2.