Carbamic acid, trithiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester
Basic information
- CAS
78081-80-8- Standard SMILES
CC1(C)Oc2c(CSSSCc3cccc4c3OC(C)(C)C4OC(N)=O)cccc2C1OC(N)=O- InChIKey
YYBDQIAUZAUVAV-UHFFFAOYSA-N- Molecular formula
- C24H28N2O6S3
- Average molar mass
- 536.7 g/mol
- Monoisotopic mass
- 536.11095014
Names & identifiers
- Preferred name
- Carbamic acid, trithiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester
- IUPAC
- [7-[[(3-carbamoyloxy-2,2-dimethyl-3H-1-benzofuran-7-yl)methyltrisulfanyl]methyl]-2,2-dimethyl-3H-1-benzofuran-3-yl] carbamate
Names & synonyms
Biscarbofuran trisulfideCarbamic acid, trithiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester78081-80-8RefChem:332752DTXSID10999315[(Trisulfane-1,3-diyl)bis(methylene)-2,2-dimethyl-2,3-dihydro-1-benzofuran-7,3-diyl] bis(hydrogen carbonimidate)
Database identifiers
- CAS
78081-80-8- PubChem CID
- 198583
- DTXSID
DTXSID10999315
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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