1,3-Bis(3-morpholin-4-ylpropyl)thiourea

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Basic information

CAS: 6941-97-5
Standard SMILES: S=C(NCCCN1CCOCC1)NCCCN1CCOCC1
InChIKey: DMJQQHJNZVGDJV-UHFFFAOYSA-N
Molecular formula: C15H30N4O2S
Average molar mass: 330.5 g/mol
Monoisotopic mass: 330.20894739

Names & identifiers

Preferred name: 1,3-Bis(3-morpholin-4-ylpropyl)thiourea
IUPAC: 1,3-bis(3-morpholin-4-ylpropyl)thiourea

Names & synonyms

6941-97-51,3-bis(3-morpholin-4-ylpropyl)thioureaN,N'-bis[3-(4-morpholinyl)propyl]thioureaMLS000700093NSC 57612SMR000228342N,N'-Bis[3-(morpholin-4-yl)propyl]thioureaNSC57612NCIOpen2_007440CHEMBL1471409BDBM51769cid_4056941

Show more names

DTXSID50398843HMS2549J071,3-bis(3-morpholinopropyl)thioureaNSC-57612AKOS0032929061,3-bis[3-(4-morpholinyl)propyl]thioureaDS-012498ST45058043

Database identifiers

CAS: 6941-97-5
PubChem CID: 4056941
DTXSID: DTXSID50398843
ChEMBL: CHEMBL1471409

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 280

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Compound notes

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