5-(Phenylsulfanylmethyl)-1,3-benzodioxole
Basic information
- CAS
103844-15-1- Standard SMILES
c1ccc(SCc2ccc3c(c2)OCO3)cc1- InChIKey
FAYJVIDGZQQYJC-UHFFFAOYSA-N- Molecular formula
- C14H12O2S
- Average molar mass
- 244.31 g/mol
- Monoisotopic mass
- 244.05580079
Names & identifiers
- Preferred name
- 5-(Phenylsulfanylmethyl)-1,3-benzodioxole
- IUPAC
- 5-(phenylsulfanylmethyl)-1,3-benzodioxole
Names & synonyms
NSC6480815-(phenylsulfanylmethyl)-1,3-benzodioxole103844-15-15-[(PHENYLSULFANYL)METHYL]-2H-1,3-BENZODIOXOLEDTXSID30314460NSC283811NSC-283811NSC-6480811,3-Benzodioxol-5-ylmethyl phenyl sulfide5-((Phenylthio)methyl)-1,3-benzodioxole
Database identifiers
- CAS
103844-15-1- PubChem CID
- 323458
- DTXSID
DTXSID30314460- Nikkaji
- J2.087.417A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
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Compound notes
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