| SpectraBase Spectrum ID |
5Fq9KLYHSvu |
| Name |
1-(1,3-benzothiazol-2-yl)-2,3-dimethyl-isothiourea |
| Alternate Name(s) |
methyl N-(1,3-benzothiazol-2-yl)-N'-methyl-carbamimidothioate
N-(1,3-benzothiazol-2-yl)-N'-methylcarbamimidothioic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H11N3S2 |
| InChI |
InChI=1S/C10H11N3S2/c1-11-9(14-2)13-10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,12,13) |
| InChIKey |
NJVQDUOVYWWOJC-UHFFFAOYSA-N |
| Molecular Weight |
237.339 g/mol |
| SMILES |
N(\C(=N/c1sc2c(n1)cccc2)SC)C |
| SPLASH |
splash10-0006-0930000000-0f533431592201e22ac2 |
| Source of Spectrum |
K1-2004-4212-12 |
| Wiley ID |
1561594 |
