Acetic acid, (2-benzothiazolylthio)-, (phenylmethylene)hydrazide
Basic information
- CAS
73718-47-5- Standard SMILES
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1- InChIKey
SSMRCFLCGZRUDT-LICLKQGHSA-N- Molecular formula
- C16H13N3OS2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.05000439
Names & identifiers
- Preferred name
- Acetic acid, (2-benzothiazolylthio)-, (phenylmethylene)hydrazide
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-benzylideneamino]acetamide
Names & synonyms
73718-47-5ACETIC ACID, (2-BENZOTHIAZOLYLTHIO)-, (PHENYLMETHYLENE)HYDRAZIDERefChem:1075565(2-Benzothiazolylthio)acetic acid (phenylmethylene)hydrazideBRN 11452782-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-benzylideneamino]acetamideSTK870129AKOS000606401ST500640552-(1,3-benzothiazol-2-ylthio)-N'-benzylideneacetohydrazide(E)-2-(benzo[d]thiazol-2-ylthio)-N'-benzylideneacetohydrazideN-((1E)-2-phenyl-1-azavinyl)-2-benzothiazol-2-ylthioacetamide
Show more names
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-phenylmethylidene]acetohydrazide2-(BENZOTHIAZOL-2-YLSULFANYL)-ACETIC ACID BENZYLIDENE-HYDRAZIDE
Database identifiers
- CAS
73718-47-5- PubChem CID
- 5334879
- EC Number
- 158-088-2
- Nikkaji
- J675.834G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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