Brn 2308209
Basic information
- CAS
72542-55-3- Standard SMILES
CS/C(C)=N\OC(=O)N(C)SN(C(C)C)P1(=S)OCC(C)(C)CO1- InChIKey
CQCSDIDXUWXZQH-KAMYIIQDSA-N- Molecular formula
- C13H26N3O4PS3
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.08230684
Names & identifiers
- Preferred name
- Brn 2308209
- IUPAC
- methyl (1Z)-N-[[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)-propan-2-ylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Names & synonyms
BRN 230820972542-55-3Ethanimidothioic acid, N-((((((5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1-methylethyl)amino)thio)methylamino)carbonyl)oxy)-, methyl ester, P-sulfideRefChem:330217
Database identifiers
- CAS
72542-55-3- PubChem CID
- 6509980
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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