Basic information
- CAS
72542-56-4- Standard SMILES
CSC(C)=NOC(=O)N(C)SN(C(C)(C)C)P1(=S)OCC(C)(C)CO1- InChIKey
ATEBGFOYQXZUEB-UHFFFAOYSA-N- Molecular formula
- C14H28N3O4PS3
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.0979569
Names & identifiers
- Preferred name
- AI3-29549
- IUPAC
- methyl N-[[tert-butyl-(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Names & synonyms
72542-56-4LINLIUWEIUNII-31O9715V9IU-5629531O9715V9IBRN 2309563AI3-29549DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)(1,1-DIMETHYLETHYL)THIO)METHYLAMINO)CARBONYL)OXY)ETHANIMIDOTHIOIC ACID METHYL ESTER, P-SULFIDE, N-(((((5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)(1,1-DIMETHYLETHYL)THIO)METHYLAMINO)CARBONYL)OXY)ETHANIMIDOTHIOIC ACID METHYL ESTER, P-SULPHIDE, N-(((((5,5-Ethanimidothioic acid, N-((((((1,1-dimethylethyl)(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphorinan-2-yl)amino)thio)methylamino)carbonyl)oxy)-, methyl esterETHANIMIDOTHIOIC ACID, N-((((((5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)(1,1-DIMETHYLETHYL)AMINO)THIO)METHYLAMINO)CARBONYL)OXY)-, METHYL ESTER, P-SULFIDEEthanimidothioic acid, N-(((((5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)thio)methylamino)carbonyl)oxy)-, methyl ester, P-sulfide
Show more names
Ethanimidothioic acid, N-[[[[[(1,1-dimethylethyl)(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphorinan-2-yl)amino]thio]methylamino]carbonyl]oxy]-, methyl esterEthanimodithioic acid, N-((((((5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)amino)thio)methylamino)carbonyl)oxy)-, methyl ester, P-sulfideRefChem:199400N-((((((5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)amino)thio)methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester P-sulfideMETHYLN-((((((1,1-DIMETHYLETHYL)(5,5-DIMETHYL-2-THIOXO-1,.SCHEMBL11043712Q27256067
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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