2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine

CAS: 82746-89-2

Molecular Formula	`C17H15N7O2S2`
Molecular Weight	413.5 g/mol
LogP	4.4
Topological Polar Surface Area	168.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	413.07288
Heavy Atoms	28
Complexity	532.0

Chemical Identifiers

CAS Number	82746-89-2
SMILES	`CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=C(C=C4)[N+](=O)[O-]`
InChIKey	`LIIMDKKKDSWCAF-UHFFFAOYSA-N`

📖 Product Overview

2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine (CAS: 82746-89-2) is a chemical compound with molecular formula C17H15N7O2S2 and molecular weight 413.5 g/mol. Its IUPAC systematic name is 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine. LogP 4.4 Topological Polar Surface Area 168.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 413.07288 Heavy Atoms 28 Complexity 532.0 InChI Key: LIIMDKKKDSWCAF-UHFFFAOYSA-N. SMILES: CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=C(C=C4)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine.

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