Methyl 2-amino-5-thiocyanatobenzoate
Basic information
- Standard SMILES
COC(=O)c1cc(SC#N)ccc1N- InChIKey
RGPZBRDJSOXWJT-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-5-thiocyanatobenzoate
- IUPAC
- methyl 2-amino-5-thiocyanatobenzoate
Names & synonyms
methyl 2-amino-5-thiocyanatobenzoate117324-16-0Methyl 2-amino-5-(thiocyanato)benzoateBenzoic acid, 2-amino-5-thiocyanato-, methyl ester (9CI)METHYL 2-AMINO-5-(CYANOSULFANYL)BENZOATESCHEMBL9541352RGPZBRDJSOXWJT-UHFFFAOYSA-NHMS1588C16methyl 2-amino-5-cyanothiobenzoatemethyl2-amino-5-thiocyanatobenzoateMFCD03176138STK045526
Show more names
AKOS002223111methyl 2-amino-5-thiocyanato-benzoateSB76971BS-26622CS-0210289ST50105145G10101SR-01000245771
Database identifiers
- PubChem CID
- 799394
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
3 records
Compound notes
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