2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid
Basic information
- CAS
2613-12-9- Standard SMILES
CNC(=S)NN=Cc1ccccc1- InChIKey
SIYNDOCHTZFIRQ-UHFFFAOYSA-N- Molecular formula
- C9H11N3S
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.06736854
Names & identifiers
- Preferred name
- 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid
- IUPAC
- 1-(benzylideneamino)-3-methylthiourea
Names & synonyms
2613-12-9SCHEMBL11643708DTXSID109490172-Benzylidene-N-methylhydrazine-1-carboximidothioic acid
Database identifiers
- CAS
2613-12-9- PubChem CID
- 3384243
- DTXSID
DTXSID10949017
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
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Compound notes
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