(3-Nitrophenoxy)(phenylmethoxy)methanethione
Basic information
- CAS
24511-55-5- Standard SMILES
O=[N+]([O-])c1cccc(OC(=S)OCc2ccccc2)c1- InChIKey
BVHZCXZICAECFS-UHFFFAOYSA-N- Molecular formula
- C14H11NO4S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.04087901
Names & identifiers
- Preferred name
- (3-Nitrophenoxy)(phenylmethoxy)methanethione
- IUPAC
- (3-nitrophenoxy)-phenylmethoxymethanethione
Names & synonyms
24511-55-5o-benzyl o-(3-nitrophenyl) carbonothioate(3-Nitrophenoxy)(phenylmethoxy)methanethioneDTXSID60947402
Database identifiers
- CAS
24511-55-5- PubChem CID
- 190262
- DTXSID
DTXSID60947402
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
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Related reactions
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Compound notes
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