1-Tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thiourea
Basic information
- CAS
13057-37-9- Standard SMILES
CC(C)(C)NC(=S)NCCNC(=S)NC(C)(C)C- InChIKey
GDHRFOZLQBOUDV-UHFFFAOYSA-N- Molecular formula
- C12H26N4S2
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.15988919
Names & identifiers
- Preferred name
- 1-Tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thiourea
- IUPAC
- 1-tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thiourea
Names & synonyms
13057-37-9NSC5245241-tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thioureaDTXSID90398342NSC-524524N,N'-Ethane-1,2-diylbis[N'-tert-butyl(thiourea)]
Database identifiers
- CAS
13057-37-9- PubChem CID
- 3976624
- DTXSID
DTXSID90398342- Nikkaji
- J3.700.648C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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