Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide

HCID 97613

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 33024-48-5
Standard SMILES: O=NN(CCF)C(=O)NC1CS(=O)(=O)CS(=O)(=O)C1
InChIKey: HWTNAOPQOYUMFC-UHFFFAOYSA-N
Molecular formula: C7H12FN3O6S2
Average molar mass: 317.3 g/mol
Monoisotopic mass: 317.01515562

Names & identifiers

Preferred name: Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide
IUPAC: 1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
English name: 5-[3-(2-Fluoroethyl)-3-nitrosoureido]-1,3-dithiane 1,1,3,3-tetraoxide
Molecular weight: 0

Names & synonyms

33024-48-5NSC 136900BRN 1440470NSC1369001-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea3-(m-Dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea S,S,S',S'-tetraoxideUrea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxideUrea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-, S,S,S'S'-tetraoxideCHEMBL274411DTXSID00186691NSC-136900Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-, S,S,S'S'-tetraoxide (9CI)

Show more names

DB-2255435-[3-(2-Fluoroethyl)-3-nitrosoureido]-1,3-dithiane 1,1,3,3-tetraoxideUrea,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso-, S,S,S',S'-tetraoxideN-(2-Fluoroethyl)-N-nitroso-N'-(1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithian-5-yl)urea

Database identifiers

CAS: 33024-48-5
PubChem CID: 97613
DTXSID

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 147 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 514

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…