Basic information
- CAS
288154-73-4- Standard SMILES
COc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1OC- InChIKey
ABBDYGNALLZFNP-UHFFFAOYSA-N- Molecular formula
- C17H19N3O3S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.11471265
Names & identifiers
- Preferred name
- N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide
- IUPAC
- 1-benzyl-3-[(3,4-dimethoxybenzoyl)amino]thiourea
Names & synonyms
N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide3,4-Dimethoxybenzoic acid 2-[[(phenylmethyl)amino]thioxomethyl]hydrazide3,4-Dimethoxybenzoic acid 2-(((phenylmethyl)amino)thioxomethyl)hydrazideRefChem:829109657-292-3ZINC00122323288154-73-4DTXSID201149960AKOS024275472ST012346N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazine-1-carbothioamide(3,4-dimethoxyphenyl)-N-({[benzylamino]thioxomethyl}amino)carboxamide
Database identifiers
- CAS
288154-73-4- PubChem CID
- 720694
- DTXSID
DTXSID201149960- EC Number
- 657-292-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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