Basic information
- CAS
1704-03-6- Standard SMILES
Br.Br.CCN=C(N)SCCN- InChIKey
HETKPDLDBOPSJP-UHFFFAOYSA-N- Molecular formula
- C5H15Br2N3S
- Average molar mass
- 309.07 g/mol
- Monoisotopic mass
- 306.93534
Names & identifiers
- Preferred name
- Pseudourea, 2-(2-aminoethyl)-1-ethyl-2-thio-, dihydrobromide
- IUPAC
- 2-aminoethyl N'-ethylcarbamimidothioate;dihydrobromide
Names & synonyms
USAF B-61Pseudourea, 2-(2-aminoethyl)-1-ethyl-2-thio-, dihydrobromide1-Ethyl-2-(2-aminoethyl)isothiouronium dibromideCarbamimidothioic acid, ethyl-, 2-aminoethyl ester, dihydrobromide1704-03-6DTXSID20168853RefChem:375731DTXCID6091344
Database identifiers
- CAS
1704-03-6- PubChem CID
- 102153
Properties
Computed structural properties
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 92.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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