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Isothiourea, S-(3-allyl-8-chloro-2-methyl-4-quinolinyl)-
SpectraBase Compound ID IGAAdxiqmzR
InChI InChI=1S/C14H14ClN3S/c1-3-5-9-8(2)18-12-10(6-4-7-11(12)15)13(9)19-14(16)17/h3-4,6-7H,1,5H2,2H3,(H3,16,17)
InChIKey VSBVUOYTLHZMQX-UHFFFAOYSA-N
Mol Weight 291.8 g/mol
Molecular Formula C14H14ClN3S
Exact Mass 291.059696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nII6oe8Hkz
Name Isothiourea, S-(3-allyl-8-chloro-2-methyl-4-quinolinyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClN3S
InChI InChI=1S/C14H14ClN3S/c1-3-5-9-8(2)18-12-10(6-4-7-11(12)15)13(9)19-14(16)17/h3-4,6-7H,1,5H2,2H3,(H3,16,17)
InChIKey VSBVUOYTLHZMQX-UHFFFAOYSA-N
Molecular Weight 291.800 g/mol
SMILES NC(=N)Sc1c2c(c(ccc2)Cl)nc(c1CC=C)C
SPLASH splash10-001s-3490000000-79b2bf53df1265137f54
Source of Spectrum AD-0-2532-0
Synonyms (8-chloranyl-2-methyl-3-prop-2-enyl-quinolin-4-yl) carbamimidothioate (8-chloro-2-methyl-3-prop-2-enylquinolin-4-yl) carbamimidothioate 2-(3-allyl-8-chloro-2-methyl-4-quinolyl)isothiourea 3-Allyl-8-chloro-2-methyl-4-quinolinyl imidothiocarbamate Carbamimidothioic acid (8-chloro-2-methyl-3-prop-2-enyl-4-quinolinyl) ester
Wiley ID 1424743