CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER
Basic information
- CAS
100836-62-2- Standard SMILES
CCSCc1ccccc1OC(=O)N(C)N=O- InChIKey
SFMDFSSMVAMQHX-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.07251349
Names & identifiers
- Preferred name
- CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER
- IUPAC
- [2-(ethylsulfanylmethyl)phenyl] N-methyl-N-nitrosocarbamate
- English name
- Methylnitrosocarbamic acid, alpha-(ethylthio)-o-tolyl ester
- Molecular formula
- C11H14N2O3S
- Molecular weight
- 254.31
Names & synonyms
100836-62-2CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTERNitrosoethiofencarb[2-(ethylsulfanylmethyl)phenyl] N-methyl-N-nitrosocarbamateMethylnitrosocarbamic acid, alpha-(ethylthio)-o-tolyl ester2-[(ethylsulfanyl)methyl]phenyl methyl(nitroso)carbamateDTXSID70143534Carbamic acid, methylnitroso-, 2-[(ethylthio)methyl]phenyl ester (9CI)
Database identifiers
- CAS
100836-62-2- PubChem CID
- 58048
- DTXSID
DTXSID70143534- Nikkaji
- J69.359F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Density
- 1.301 · 1.3010 (rough estimate)
- refractive index
- 1.565 · 1.5650 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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