Carbamimidothioic acid, 1,5-pentanediyl ester, dihydrobromide
Basic information
- CAS
856-51-9- Standard SMILES
Br.NC(=Nc1ccccc1)SCCCCCSC(N)=Nc1ccccc1- InChIKey
QMJRSPGOFNWXHF-UHFFFAOYSA-N- Molecular formula
- C19H25BrN4S2
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 452.0704
Names & identifiers
- Preferred name
- Carbamimidothioic acid, 1,5-pentanediyl ester, dihydrobromide
- IUPAC
- 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate;hydrobromide
Names & synonyms
NSC35440Carbamimidothioic acid, 1,5-pentanediyl ester, dihydrobromide2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide856-51-9NSC-354401,5-Pentamethylenebisphenyl isothiuronium dihydrobromidePseudourea,2'-pentamethylenebis[1-phenyl-2-thio-, dihydrobromide
Database identifiers
- CAS
856-51-9- PubChem CID
- 54599191
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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