Basic information
- CAS
33022-02-5- Standard SMILES
O=NN(CCCl)C(=O)NC1CCS(=O)(=O)CC1- InChIKey
MHOURTKZILVYRM-UHFFFAOYSA-N- Molecular formula
- C8H14ClN3O4S
- Average molar mass
- 283.73 g/mol
- Monoisotopic mass
- 283.0393548
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide
- IUPAC
- 1-(2-chloroethyl)-3-(1,1-dioxothian-4-yl)-1-nitrosourea
- English name
- 4-[3-(2-Chloroethyl)-3-nitrosoureido]tetrahydro-2H-thiopyran 1,1-dioxide
- Molecular weight
- 0
Names & synonyms
33022-02-5NSC 105763BRN 1393547DTXSID401866751-(2-Chloroethyl)-3-(tetrahydro-2H-thiopyran-4-yl)-1-nitrosourea S,S-dioxideN-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea S,S-dioxideUrea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxideUrea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxideUrea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide (9CI)Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-,S,S-dioxideRefChem:387991DTXCID80109166
Show more names
Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-,S,S-dioxide (9CI)4-[3-(2-Chloroethyl)-3-nitrosoureido]tetrahydro-2H-thiopyran 1,1-dioxideNSC105763CHEMBL11928NSC-105763DB-262836N-(2-Chloroethyl)-N'-(1,1-dioxo-1lambda~6~-thian-4-yl)-N-nitrosoureaUrea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-4-thiopyranyl)-, s,s-dioxide
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
LogP0.19
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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