Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate
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![Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1091acce72c2456ca6455627475926c0.png "Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate")
Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate
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CAS No:
52378-40-2
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Formula:
C10H15N5S2
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Chemical Name:
Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate
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Synonyms:
Carbamimidothioic acid,N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-,methyl ester;Carbamimidothioic acid,N-cyano-N′-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-,methyl ester;Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate;N-Cyano-N′-[2-[(4-methyl-5-imidazolyl)methylthio]ethyl]-S-methylisothiourea;N-Cyano-N′-[2-[[(5-methyl-4-imidazolyl)methyl]thio]ethyl]-S-methylisothiourea
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CAS No:
Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate Basic Attributes
287.40500
269.39
257-889-5
DTXSID50200396
Characteristics
136.69000
2.06758
1.29g/cm3
148-150 °C @ Solvent: Ethanol
501.5ºC at 760mmHg
257.1ºC
1.645
Safety Information
|Danger|H302+H312+H332 (66.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P201, P202, P261, P264, P270, P271, P272, P280, P281, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P308+P313, P312, P321, P322, P330, P333+P313, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:269.4
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:269.07688785
Monoisotopic Mass:269.07688785
Topological Polar Surface Area:128
Heavy Atom Count:17
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl N-cyano-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]carbamimidothioate
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