Basic information
- CAS
65907-42-8- Standard SMILES
CCCCCCCCOC(=O)NCSCNC(=O)Oc1cccc2ccccc12- InChIKey
POPONUVLZSIKCQ-UHFFFAOYSA-N- Molecular formula
- C22H30N2O4S
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.19262862
Names & identifiers
- Preferred name
- Carbamic acid, thiobis(N-methyl-, naphthyl octyl ester
- IUPAC
- octyl N-[(naphthalen-1-yloxycarbonylamino)methylsulfanylmethyl]carbamate
- English name
- [[Octyloxycarbonyl(methyl)amino]thio]-N-methylcarbamic acid 1-naphtyl ester
- Molecular formula
- C22H30N2O4S
- Molecular weight
- 418.55
Names & synonyms
Thiobis(N-methylcarbamic acid) naphthyl octyl esterBRN 2184040CARBAMIC ACID, THIOBIS(N-METHYL-, NAPHTHYL OCTYL ESTER65907-42-8DTXSID70216136RefChem:332751DTXCID70138627Naphthalen-1-yl octyl [sulfanediylbis(methylene)]biscarbamate[[Octyloxycarbonyl(methyl)amino]thio]-N-methylcarbamic acid 1-naphtyl ester6-Oxa-3-thia-2,4-diazatetradecanoic acid, 2,4-dimethyl-5-oxo-, 1-naphthalenyl ester
Database identifiers
- CAS
65907-42-8- PubChem CID
- 47764
- DTXSID
DTXSID70216136
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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