Basic information
- CAS
5629-32-3- Standard SMILES
COC(=O)CSCc1ccc([N+](=O)[O-])cc1- InChIKey
DLZYIQFDUZINCM-UHFFFAOYSA-N- Molecular formula
- C10H11NO4S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.04087901
Names & identifiers
- Preferred name
- Methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate
- IUPAC
- methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate
Names & synonyms
6625-36-1Methyl 2-((4-nitrobenzyl)thio)acetatemethyl 2-[(4-nitrophenyl)methylsulfanyl]acetatemethyl [(4-nitrobenzyl)thio]acetateMethyl 2-[[(4-nitrophenyl)methyl]thio]acetateMethyl {[(4-nitrophenyl)methyl]sulfanyl}acetateMETHYL 2-{[(4-NITROPHENYL)METHYL]SULFANYL}ACETATEmethyl ({4-nitrobenzyl}sulfanyl)acetatemethyl [(4-nitrobenzyl)sulfanyl]acetate5629-32-3NSC52411DTXSID40971725
Show more names
NSC-52411STK735562AKOS000606141DS-011410ST4019998CS-0364134methyl 2-[(4-nitrophenyl)methylthio]acetateST45025172
Database identifiers
- CAS
5629-32-3、6625-36-1- PubChem CID
- 243148
- DTXSID
DTXSID40971725
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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