(2,5-Dioxopyrrolidin-1-yl) 5-(2-imino-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
Basic information
- CAS
76939-67-8- Standard SMILES
NC1=NC2C(CSC2CCCCC(=O)ON2C(=O)CCC2=O)N1- InChIKey
RVNCPTOYUFIJGP-UHFFFAOYSA-N- Molecular formula
- C14H20N4O4S
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.12052631
Names & identifiers
- Preferred name
- (2,5-Dioxopyrrolidin-1-yl) 5-(2-imino-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
Names & synonyms
NSC371978(2,5-dioxopyrrolidin-1-yl) 5-(2-imino-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
Database identifiers
- CAS
76939-67-8- PubChem CID
- 435541
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 537
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Related reactions
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Compound notes
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