Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)

HCID 41407

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Basic information

CAS: 55322-71-9
Standard SMILES: NC(=[NH2+])SCC[NH+](CCSC(N)=[NH2+])CCSC(N)=[NH2+].[Cl-].[Cl-].[Cl-].[Cl-]
InChIKey: MELXETRWAFUJDV-UHFFFAOYSA-N
Molecular formula: C9H25Cl4N7S3
Average molar mass: 469.4 g/mol
Monoisotopic mass: 467.008768

Names & identifiers

Preferred name: Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)
IUPAC: tris[2-[amino(azaniumylidene)methyl]sulfanylethyl]azanium tetrachloride

Names & synonyms

55322-71-9Nitrilotri(ethane-2,1-diyl) tricarbamimidothioate--hydrogen chloride (1/4)RefChem:1092452DTXCID401398185DTXSID40970657Tri(beta-isothioureido-S-ethyl)amine tetrahydrochlorideCARBAMIMIDOTHIOIC ACID, NITRILOTRI-2,1-ETHANEDIYL ESTER, TETRAHYDROCHLORIDE

Database identifiers

CAS: 55322-71-9
PubChem CID: 41407

Properties

Computed structural properties

Topological polar surface area: 235 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 7
Rotatable bonds: 12
Heavy atoms: 23
Formal charge: 0
Complexity: 246

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