Basic information
- CAS
28715-70-0- Standard SMILES
COSc1ccccc1- InChIKey
MNJZKOPEHASNIA-UHFFFAOYSA-N- Molecular formula
- C7H8OS
- Average molar mass
- 140.2 g/mol
- Monoisotopic mass
- 140.02958605
Names & identifiers
- Preferred name
- (Methoxysulfanyl)benzene
- IUPAC
- methoxysulfanylbenzene
Names & synonyms
(Methoxysulfanyl)benzene28715-70-0DTXSID30312628RefChem:210591DTXCID80263752benzenesulfenic acid methyl estermethoxysulfanylbenzeneBenzenesulfenic acid, methyl esterNSC259697methyl benzene sulfenateSCHEMBL901636SCHEMBL4921731
Show more names
SCHEMBL5695273SCHEMBL5695276SCHEMBL9857982MNJZKOPEHASNIA-UHFFFAOYSA-NNSC-259697
Database identifiers
- CAS
28715-70-0- PubChem CID
- 318902
- DTXSID
DTXSID30312628- Nikkaji
- J119.228K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.3
Related reactions
1 records
Compound notes
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