2-((5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-YL)sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-YL)acetamide

HCID 3695849

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Basic information

CAS: 477332-78-8
Standard SMILES: O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc2c(c1)OCCO2
InChIKey: BEZAPFUZTGZZFX-UHFFFAOYSA-N
Molecular formula: C19H17N3O3S3
Average molar mass: 431.6 g/mol
Monoisotopic mass: 431.04320493

Names & identifiers

Preferred name: 2-((5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-YL)sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-YL)acetamide
IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
English name: SALOR-INT L245518-1EA
Molecular formula: C19H17N3O3S3
Molecular weight: 431.55

Names & synonyms

477332-78-82-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide2-((5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-YL)sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-YL)acetamideRefChem:449606650-680-32-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamideSTK547025AKOS002178142ST041157N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[5-(phenylmethylthio)(1,3,4-thiadiazol -2-ylthio)]acetamideSALOR-INT L245518-1EA2-([5-(BENZYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]SULFANYL)-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ACETAMIDE

Show more names

Acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-

Database identifiers

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 152 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 510

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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 · 4 items

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: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers4 total

PHARMEKS Ltd.[email protected]

Interbioscreen Ltd.[email protected]

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMAALDRICH—

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Compound notes

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