N'-(1,1-Dioxo-2-phenyl-1lambda~6~,4,2-dithiazolidin-3-ylidene)-N,N-dimethylthiourea
Basic information
- CAS
64803-02-7- Standard SMILES
CN(C)C(=S)/N=C1\SCS(=O)(=O)N1c1ccccc1- InChIKey
TUCLSXPYIGIOCB-QXMHVHEDSA-N- Molecular formula
- C11H13N3O2S3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.01699019
Names & identifiers
- Preferred name
- N'-(1,1-Dioxo-2-phenyl-1lambda~6~,4,2-dithiazolidin-3-ylidene)-N,N-dimethylthiourea
- IUPAC
- (3Z)-3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea
Names & synonyms
DTXSID3042184564803-02-7N'-(1,1-Dioxo-2-phenyl-1lambda~6~,4,2-dithiazolidin-3-ylidene)-N,N-dimethylthioureaN'-[(3Z)-1,1-Dioxo-2-phenyl-1lambda~6~,4,2-dithiazolidin-3-ylidene]-N,N-dimethylthiourea
Database identifiers
- CAS
64803-02-7- PubChem CID
- 9601262
- DTXSID
DTXSID30421845
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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