Hexacosyl carbamimidothioate--hydrogen bromide (1/1)
Basic information
- CAS
6624-74-4- Standard SMILES
Br.CCCCCCCCCCCCCCCCCCCCCCCCCCSC(=N)N- InChIKey
SXKIHVGUGBKNDI-UHFFFAOYSA-N- Molecular formula
- C27H57BrN2S
- Average molar mass
- 521.7 g/mol
- Monoisotopic mass
- 520.34258
Names & identifiers
- Preferred name
- Hexacosyl carbamimidothioate--hydrogen bromide (1/1)
- IUPAC
- hexacosyl carbamimidothioate;hydrobromide
Names & synonyms
6624-74-4Hexacosyl carbamimidothioate--hydrogen bromide (1/1)DTXSID20712557NSC53828NSC-53828
Database identifiers
- CAS
6624-74-4- PubChem CID
- 54598802
- DTXSID
DTXSID20712557
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 26
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 333
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Related reactions
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Compound notes
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