1H-imidazole-5-carbothioamide
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1H-imidazole-5-carbothioamide
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CAS No:
95962-95-1
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Formula:
C4H5N3S
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Chemical Name:
1H-imidazole-5-carbothioamide
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Synonyms:
4-Carbamothioyl-1H-imidazole; 1H-Imidazole-4-thiocarboxamide; 1H-Imidazole-4-carbothioamide;
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CAS No:
Safety Information
R20/21/22
S36/37
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:127.17
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:127.02041835
Monoisotopic Mass:127.02041835
Topological Polar Surface Area:86.8
Heavy Atom Count:8
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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