Basic information
- CAS
61076-84-4- Standard SMILES
C=CCSC1=NCCN1C(=O)OC- InChIKey
OPCDKHZQXSNOBB-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.0619488
Names & identifiers
- Preferred name
- 2-Imidazoline-1-carboxylic acid, 2-allylthio-, methyl ester
- IUPAC
- methyl 2-prop-2-enylsulfanyl-4,5-dihydroimidazole-1-carboxylate
Names & synonyms
61076-84-42-IMIDAZOLINE-1-CARBOXYLIC ACID, 2-ALLYLTHIO-, METHYL ESTER2-Allylthio-2-imidazoline-1-carboxylic acid methyl esterImidazolidine, 2-allylthio-3-methoxycarbonyl-DTXSID00209950RefChem:262029DTXCID50132441Methyl 2-[(prop-2-en-1-yl)sulfanyl]-4,5-dihydro-1H-imidazole-1-carboxylate
Database identifiers
- CAS
61076-84-4- PubChem CID
- 43542
- DTXSID
DTXSID00209950
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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