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Isothiocyanates
Description:
Organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
Ancestors:
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methoxycarbonyl isothiocyanateCas Number: 35266-49-0 Compound CID: 552246IUPAC Name: methyl N-(sulfanylidenemethylidene)carbamateSMILES: COC(=O)N=C=SInChIKey: LBFAAYMITJMZOC-UHFFFAOYSA-NInChI: InChI=1S/C3H3NO2S/c1-6-3(5)4-2-7/h1H3 -
3-Methylbutyl isothiocyanateCas Number: 628-03-5 Compound CID: 79086Formula: C6H11NS Molecular Weight: 129.23IUPAC Name: 1-isothiocyanato-3-methylbutaneSMILES: CC(C)CCN=C=SInChIKey: JATNWMBUDXLMEO-UHFFFAOYSA-NInChI: InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
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Ethoxycarbonyl isothiocyanateCas Number: 16182-04-0 EC Number: 240-318-9Formula: SCNCOOCH2CH3 Molecular Weight: 131.15IUPAC Name: ethyl N-(sulfanylidenemethylidene)carbamateSMILES: CCOC(=O)N=C=SInChIKey: BDTDECDAHYOJRO-UHFFFAOYSA-NInChI: InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3Synonyms: Ethoxycarbonyl isothiocyanate|16182-04-0|Ethyl isothiocyanatoformate|Ethoxycarbonylisothiocyanate|Carbethoxy isothioc...
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1,4-Butane diisothiocyanateCas Number: 4430-51-7Formula: C6H8N2S2 Molecular Weight: 172.27IUPAC Name: 1,4-diisothiocyanatobutaneSMILES: C(CCN=C=S)CN=C=SInChIKey: RRSISCMPUAGVJN-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2S2/c9-5-7-3-1-2-4-8-6-10/h1-4H2Synonyms: 1,4-Diisothiocyanatobutane # | 1,4-Butane diisothiocyanate | 1,4-Butane diisothiocyanate, 97% | AKOS005257591 | GEO-0...
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Allyl isothiocyanateCas Number: 57-06-7 EC Number: 200-309-2, 232-358-0Formula: C4H5NS Molecular Weight: 99.15IUPAC Name: 3-isothiocyanatoprop-1-eneSMILES: C=CCN=C=SInChIKey: ZOJBYZNEUISWFT-UHFFFAOYSA-NInChI: InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2Synonyms: Allyl isothiocyanate (natural) | ALLYL ISOTHIOCYANATE [WHO-DD] | AB01563144_01 | CHEBI:73224 | EN300-19008 | Senf oel...
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Methallyl isothiocyanateCas Number: 41834-90-6Formula: C5H7NS Molecular Weight: 113.18IUPAC Name: 3-isothiocyanato-2-methylprop-1-eneSMILES: CC(=C)CN=C=SInChIKey: SFCQVEDGNZVACI-UHFFFAOYSA-NInChI: InChI=1S/C5H7NS/c1-5(2)3-6-4-7/h1,3H2,2H3
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Cyclododecyl isothiocyanateCas Number: 59037-64-8Formula: C13H23NS Molecular Weight: 225.4IUPAC Name: isothiocyanatocyclododecaneSMILES: C1CCCCCC(CCCCC1)N=C=SInChIKey: VSCLPFIUOOBLQJ-UHFFFAOYSA-NInChI: InChI=1S/C13H23NS/c15-12-14-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2Synonyms: Isothiocyanatocyclododecane
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Acetyl isothiocyanateCas Number: 13250-46-9Formula: C3H3NOS Molecular Weight: 101.13IUPAC Name: acetyl isothiocyanateSMILES: CC(=O)N=C=SInChIKey: VITFJKNVGRZRKB-UHFFFAOYSA-NInChI: InChI=1S/C3H3NOS/c1-3(5)4-2-6/h1H3Synonyms: EN300-04690 | DTXSID80157602 | ethanecarbonyl isothiocyanate | VITFJKNVGRZRKB-UHFFFAOYSA-N | J-006183 | ethanoyl isot...
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tert-Butyl isothiocyanateCas Number: 590-42-1 EC Number: 209-682-6Formula: C5H9NS Molecular Weight: 115.2IUPAC Name: 2-isothiocyanato-2-methylpropaneSMILES: CC(C)(C)N=C=SInChIKey: ZFWFRTVIIMTOLY-UHFFFAOYSA-NInChI: InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3Synonyms: Propane, 2-isothiocyanato-2-methyl- | DTXSID9060441 | tertiary butyl isothiocyanate | 2-Isothiocyanato-2-methylpropan...
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sec-Butyl IsothiocyanateCas Number: 4426-79-3 EC Number: 224-609-8Formula: C5H9NS Molecular Weight: 115.19IUPAC Name: 2-isothiocyanatobutaneSMILES: CCC(C)N=C=SInChIKey: TUFJIDJGIQOYFY-UHFFFAOYSA-NInChI: InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3Synonyms: 4-TRIFLUOROMETHYLPHENYLACETONITRILE | BBL027965 | BDBM50096278 | J-802072 | 2-BUTYL ISOTHIOCYANATE, (+/-)- | AKOS0160...
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3-(Methylthio)propyl isothiocyanateCas Number: 505-79-3Formula: C5H9NS2 Molecular Weight: 147.25IUPAC Name: 1-isothiocyanato-3-methylsulfanylpropaneSMILES: CSCCCN=C=SInChIKey: LDKSCZJUIURGMW-UHFFFAOYSA-NInChI: InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3Synonyms: (3-isothiocyanatopropyl)(methyl)sulfane | BP-12929 | AKOS000120740 | 3-(Methylthio)propyl isothiocyanate, >=98%, FG |...
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3-(Diethylamino)propyl isothiocyanateCas Number: 2626-52-0Formula: C8H16N2S Molecular Weight: 172.29IUPAC Name: N,N-diethyl-3-isothiocyanatopropan-1-amineSMILES: CCN(CC)CCCN=C=SInChIKey: QPBVKSLJBRCKIF-UHFFFAOYSA-NInChI: InChI=1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3Synonyms: 3-(Diethylamino)propyl isothiocyanate, 97% | diethyl-(3-isothiocyanato-propyl)-amine | diethyl(3-isothiocyanatopropyl...
