2((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)N'-(2-furylmethylene)acetohydrazide
Basic information
- CAS
315201-14-0- Standard SMILES
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccco1- InChIKey
LEVUKXJXYKHQGL-RQZCQDPDSA-N- Molecular formula
- C16H14N4O2S3
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.02788922
Names & identifiers
- Preferred name
- 2((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)N'-(2-furylmethylene)acetohydrazide
- IUPAC
- 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
- English name
- SALOR-INT L471836-1EA
- Molecular formula
- C16H14N4O2S3
- Molecular weight
- 390.51
Names & synonyms
315201-14-02((5-(BENZYLTHIO)-1,3,4-THIADIAZOL-2-YL)THIO)N'-(2-FURYLMETHYLENE)ACETOHYDRAZIDERefChem:439751655-624-12-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazideMFCD02075675STK068831ZINC33361339AKOS001617561ZINC000002334764O=C(CSc1nnc(s1)SCc1ccccc1)NN=Cc1ccco1
Show more names
SALOR-INT L471836-1EAAcetic acid, 2-[[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-, 2-(2-furanylmethylene)hydrazide
SR-01000081222SR-01000081222-1C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=CO3(E)2((5(benzylthio)134thiadiazol2yl)thio)N(furan2ylmethylene)acetohydrazide2((5(BENZYLTHIO)134THIADIAZOL2YL)THIO)N(FURAN2YLMETHYLENE)ACETOHYDRAZIDE2((5BENZYLSULFANYL134THIADIAZOL2YL)SULFANYL)N((E)FURAN2YLMETHYLIDENEAMINO)ACETAMIDE(E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide2((5(BENZYLSULFANYL)134THIADIAZOL2YL)SULFANYL)N((E)FURAN2YLMETHYLIDENE)ACETOHYDRAZIDE
Database identifiers
- CAS
315201-14-0- PubChem CID
- 6885960
- EC Number
- 655-624-1
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 11.31 · 11.31±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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