Ethyl carbamimidothioate--ethyl dihydrogen phosphate (1/1)
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Basic information
- CAS
21704-45-0- Standard SMILES
CCOP(=O)(O)O.CCSC(=N)N- InChIKey
GSMJIVIETIZIEV-UHFFFAOYSA-N- Molecular formula
- C5H15N2O4PS
- Average molar mass
- 230.23 g/mol
- Monoisotopic mass
- 230.04901514
Names & identifiers
- Preferred name
- Ethyl carbamimidothioate--ethyl dihydrogen phosphate (1/1)
- IUPAC
- ethyl carbamimidothioate;ethyl dihydrogen phosphate
Names & synonyms
21704-45-0DTXSID10944320Ethyl carbamimidothioate--ethyl dihydrogen phosphate (1/1)RefChem:1085030DTXCID101372667S-Ethylisothiuronium ethyl phosphateCarbamidothioic acid, ethyl ester, ethyl phosphate (1:1)
Database identifiers
- CAS
21704-45-0- PubChem CID
- 210822
- DTXSID
DTXSID10944320
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
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Compound notes
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