Basic information
- CAS
66287-42-1- Standard SMILES
CNC(=S)NCCSC(C)c1nc[nH]c1C- InChIKey
DLTHHTADRFWQFA-UHFFFAOYSA-N- Molecular formula
- C10H18N4S2
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.09728894
Names & identifiers
- Preferred name
- N-Methyl-N'-(2-{[1-(5-methyl-1H-imidazol-4-yl)ethyl]sulfanyl}ethyl)thiourea
- IUPAC
- 1-methyl-3-[2-[1-(5-methyl-1H-imidazol-4-yl)ethylsulfanyl]ethyl]thiourea
Names & synonyms
66287-42-1DTXSID10496935N-Methyl-N'-(2-{[1-(5-methyl-1H-imidazol-4-yl)ethyl]sulfanyl}ethyl)thiourea
Database identifiers
- CAS
66287-42-1- PubChem CID
- 12409652
- DTXSID
DTXSID10496935
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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