4-Methoxybenzothiohydrazide
Basic information
- CAS
62625-55-2- Standard SMILES
COc1ccc(C(=S)NN)cc1- InChIKey
LWUCPXUQMBECHJ-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.05138412
Names & identifiers
- Preferred name
- 4-Methoxybenzothiohydrazide
- IUPAC
- 4-methoxybenzenecarbothiohydrazide
- English name
- Benzenecarbothioic acid, 4-methoxy-, hydrazide (9CI)
- Molecular formula
- C8H10N2OS
- Molecular weight
- 182.2428
Names & synonyms
4-methoxybenzothiohydrazide62625-55-24-methoxybenzenecarbothiohydrazideBenzenecarbothioic acid, 4-methoxy-, hydrazide (9CI)p- Methoxy-thiobenzhydrazidSCHEMBL4200333MFCD00158781AKOS006333152ST001546hydrazino(4-methoxyphenyl)methane-1-thioneDB-218968H38954
Database identifiers
- CAS
62625-55-2- PubChem CID
- 668207
- EC Number
- 106-111-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…