Ammonium, (5-((4,6-dimethyl-2-pyrimidinyl)thio)pentyl)triethyl-, bromide

HCID 56037

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 90094-33-0
Standard SMILES: CC[N+](CC)(CC)CCCCCSc1nc(C)cc(C)n1.[Br-]
InChIKey: VMEBDOSROCWIBH-UHFFFAOYSA-M
Molecular formula: C17H32BrN3S
Average molar mass: 390.4 g/mol
Monoisotopic mass: 389.15003

Names & identifiers

Preferred name: Ammonium, (5-((4,6-dimethyl-2-pyrimidinyl)thio)pentyl)triethyl-, bromide
IUPAC: 5-(4,6-dimethylpyrimidin-2-yl)sulfanylpentyl-triethylazanium bromide

Names & synonyms

90094-33-0(5-((4,6-Dimethyl-2-pyrimidinyl)thio)pentyl)triethylammonium bromide1-Pentanaminium, 5-((4,6-dimethyl-2-pyrimidinyl)thio)-N,N,N-triethyl-, bromideAMMONIUM, (5-((4,6-DIMETHYL-2-PYRIMIDINYL)THIO)PENTYL)TRIETHYL-, BROMIDERefChem:3189355-((4,6-Dimethylpyrimidin-2-yl)thio)-N,N,N-triethylpentan-1-aminium bromideDTXSID301009153[(4,6-dimethylpyrimidin-2-ylthio)pentyl]triethylammonium bromide5-((4,6-Dimethylpyrimidin-2-yl)thio)-N,N,N-triethylpentan-1-aminiumbromide5-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N,N,N-triethylpentan-1-aminium bromide

Database identifiers

CAS: 90094-33-0
PubChem CID: 56037
DTXSID: DTXSID301009153

Properties

Computed structural properties

Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 250

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…