Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate
Basic information
- CAS
63679-63-0- Standard SMILES
C=CCN=C(N)SCCN.O=S(=O)(O)O- InChIKey
GDBDVUNPXYJCCT-UHFFFAOYSA-N- Molecular formula
- C6H15N3O4S2
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.05039832
Names & identifiers
- Preferred name
- Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfate
- IUPAC
- 2-aminoethyl N'-prop-2-enylcarbamimidothioate;sulfuric acid
Names & synonyms
63679-63-0Pseudourea, 1-allyl-2-(2-aminoethyl)-2-thio-, hydrogen sulfateRefChem:1097090USAF B-68Pseudourea, 2-thio-, 1-allyl-2-(2-aminoethyl)-, sulfate1-Allyl-2-(2-aminoethyl)-isothiouronium sulfateDTXSID60979905Sulfuric acid--2-aminoethyl N-(prop-2-en-1-yl)carbamimidothioate (1/1)Sulfuric acid--2-aminoethyl N-prop-2-en-1-ylcarbamimidothioate (1/1)
Database identifiers
- CAS
63679-63-0- PubChem CID
- 112717
- DTXSID
DTXSID60979905
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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