N,N-dimethyl-1,1-dioxo-3-thiophen-2-ylthietan-3-amine
Basic information
- CAS
72000-09-0- Standard SMILES
CN(C)C1(c2cccs2)CS(=O)(=O)C1- InChIKey
WAWXBJAIVRJIFF-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.038771
Names & identifiers
- Preferred name
- N,N-dimethyl-1,1-dioxo-3-thiophen-2-ylthietan-3-amine
- IUPAC
- N,N-dimethyl-1,1-dioxo-3-thiophen-2-ylthietan-3-amine
Names & synonyms
72000-09-0N,N-dimethyl-1,1-dioxo-3-thiophen-2-ylthietan-3-amineN,N-dimethyl-3-(2-thienyl)-3-thietanamine 1,1-dioxide hydrochlorideNSC298177CBMicro_013396Oprea1_671825DTXSID30315917SMSF0004433CB04818NSC-2981773-(Dimethylamino)-3-(thiophen-2-yl)-1lambda~6~-thietane-1,1-dione
Database identifiers
- CAS
72000-09-0- PubChem CID
- 326544
- DTXSID
DTXSID30315917
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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