3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione
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![3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/131c53fe6ca646a6a9d98ec4afe45c82.png "3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione")
3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione
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CAS No:
60431-65-4
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Formula:
C14H11N3O2S2
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Chemical Name:
3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione
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Synonyms:
2(3h)-benzothiazolethione,3-[[(4-nitrophenyl)amino]methyl];
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CAS No:
3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione Basic Attributes
317.38600
317.02926895 g/mol
87595
DTXSID50293167
2934200090
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:317.4
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:317.02926895
Monoisotopic Mass:317.02926895
Topological Polar Surface Area:119
Heavy Atom Count:21
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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