2-(Methylsulfanyl)benzenecarbohydrazide
Basic information
- CAS
885949-42-8- Standard SMILES
CSc1ccccc1C(=O)NN- InChIKey
KTPHBJHTENOTCQ-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.05138412
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)benzenecarbohydrazide
- IUPAC
- 2-methylsulfanylbenzohydrazide
- English name
- 2-(Methylsulfanyl)benzenecarbohydrazide
- Molecular formula
- C8H10N2OS
- Molecular weight
- 182.24
Names & synonyms
2-(Methylsulfanyl)benzenecarbohydrazide885949-42-82-(Methylthio)benzohydrazide2-methylsulfanylbenzohydrazide2-(methylsulfanyl)benzohydrazideMFCD062009792-(Methylthio)benzhydrazideSCHEMBL69390262-methylthiobenzenecarbohydrazideDTXSID00377325SBB089938AKOS005070936
Show more names
Benzoic acid, 2-(methylthio)-, hydrazide
6K-632S
Database identifiers
- CAS
885949-42-8- PubChem CID
- 2764151
- DTXSID
DTXSID00377325
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 102 · 102-104°C
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.31 · 12.31±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2928009090 · 2928009090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2928009090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…