Basic information
- Standard SMILES
S=CNCc1ccc2c(c1)OCO2.[Cl-]- InChIKey
KEIGEGTUWQIMIJ-UHFFFAOYSA-M- Molecular formula
- C9H9ClNO2S-
- Average molar mass
- 230.69 g/mol
Names & identifiers
- Preferred name
- N-Benzo[1,3]dioxol-5-ylmethyl-thioformamide chloride
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)methanethioamide chloride
Names & synonyms
KEIGEGTUWQIMIJ-UHFFFAOYSA-MN-Benzo[1,3]-dioxol-5-ylmethyl-thioformamide chlorideN-Benzo[1,3]dioxol-5-ylmethyl-thioformamide chloride
Database identifiers
- PubChem CID
- 86601006
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 188
Related reactions
23 records
Compound notes
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