Pseudourea, 1-acetyl-2-(2-methylaminoethyl)-2-thio-, hydrogen sulfate
Basic information
- CAS
63679-60-7- Standard SMILES
CNCCSC(N)=NC(C)=O.O=S(=O)(O)O- InChIKey
LZUNKNVLQUISRX-UHFFFAOYSA-N- Molecular formula
- C6H15N3O5S2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.04531293
Names & identifiers
- Preferred name
- Pseudourea, 1-acetyl-2-(2-methylaminoethyl)-2-thio-, hydrogen sulfate
- IUPAC
- 2-(methylamino)ethyl N'-acetylcarbamimidothioate;sulfuric acid
Names & synonyms
USAF B-8663679-60-7Pseudourea, 2-thio-, 1-acetyl-2-(2-methylaminoethyl)-, sulfate1-Acetyl-2-(2-methylaminoethyl)-isothiouronium sulfatePseudourea, 1-acetyl-2-(2-methylaminoethyl)-2-thio-, hydrogen sulfateRefChem:375682DTXSID40979903N-(Imino{[2-(methylamino)ethyl]sulfanyl}methyl)ethanimidic acid--sulfuric acid (1/1)
Database identifiers
- CAS
63679-60-7- PubChem CID
- 112715
- DTXSID
DTXSID40979903
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…