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Basic information
- CAS
17124-83-3- Standard SMILES
CCN(CC)CCSC(=N)N- InChIKey
KIPQFURXJLXUFT-UHFFFAOYSA-N- Molecular formula
- C7H17N3S
- Average molar mass
- 175.3 g/mol
- Monoisotopic mass
- 175.11431873
Names & identifiers
- Preferred name
- 2-(2-(Diethylamino)ethyl)isothiourea
- IUPAC
- 2-(diethylamino)ethyl carbamimidothioate
Names & synonyms
2-(diethylamino)ethyl carbamimidothioate2-(2-(Diethylamino)ethyl)isothiourea17124-83-3EINECS 241-188-6DTXSID80169043KIPQFURXJLXUFT-UHFFFAOYSA-NAKOS014546600NS00025618
Database identifiers
- CAS
17124-83-3- PubChem CID
- 79520
- DTXSID
DTXSID80169043- EC Number
- 241-188-6
- Nikkaji
- J312.525D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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