Brommesaconsaeure
3-(1,1-dioxothian-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
Also Known As: Brommesaconsaeure|Urea, S,S-dioxide|AI3-52792|3-(1,1-dioxothian-4-yl)-1-(2-fluoroethyl)-1-nitrosourea|Urea, 1-(2-fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide|1-(2-Fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea S,S-dioxide|N-(2-Fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea, S,S-dioxide|Urea, N-(2-fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide|Urea, N-(2-fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide (9CI)|Urea, N-(2-fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-,S,S-dioxide|3-(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)-1-(2-fluoroethyl)-1-nitrosourea|Urea,1-dioxytetrahydrothiopyranyl)-1-(2-fluoroethyl)-1-nitroso-|Urea,1-dioxytetrahydrothiopyranyl)-1-(2-fluoroethyl]-1-nitroso-|N'-(1,1-Dioxo-1lambda~6~-thian-4-yl)-N-(2-fluoroethyl)-N-nitrosourea|Urea, 3-[4-(1,1-dioxytetrahydrothiopyranyl)-1-(2-fluoroethyl]-1-nitroso-|Urea, N-(2-fluoroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-,S,S-dioxide (9CI)
| Molecular Formula | C8H14FN3O4S |
|---|---|
| Molecular Weight | 267.0689 g/mol |
| LogP | 0.23 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0689 |
| Heavy Atoms | 17 |
| Complexity | 372.2 |
Chemical Identifiers
| CAS Number | 32319-89-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CCC1NC(=O)N(CCF)N=O |
Product Overview
Brommesaconsaeure (CAS 32319-89-4), with molecular formula C8H14FN3O4S and molecular weight 267.0689 g/mol. IUPAC: 3-(1,1-dioxothian-4-yl)-1-(2-fluoroethyl)-1-nitrosourea.
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