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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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4-Penten-1-yl IsothiocyanateCas Number: 18060-79-2 Compound CID: 87436Formula: C6H9NS Molecular Weight: 127.21IUPAC Name: 5-isothiocyanatopent-1-eneSMILES: C=CCCCN=C=SInChIKey: DBISBKDNOKIADM-UHFFFAOYSA-NInChI: InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2Synonyms: 1-Pentene, 5-isothiocyanato- | BS-43918 | DBISBKDNOKIADM-UHFFFAOYSA-N | ISOTHIOCYANIC ACID, 4-PENTENYL ESTER | FEMA N... -
2-Chloro-3-isothiocyanatopropeneCas Number: 14214-31-4Formula: C4H4ClNS Molecular Weight: 133.6IUPAC Name: 2-chloro-3-isothiocyanatoprop-1-eneSMILES: C=C(CN=C=S)ClInChIKey: DGBFPSVUFUDQNA-UHFFFAOYSA-NInChI: InChI=1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2Synonyms: 14214-31-4|2-Chloro-3-isothiocyanatopropene|2-Chloroallyl isothiocyanate|2-chloro-3-isothiocyanatoprop-1-ene|1-Propen... -
3-Methoxypropyl isothiocyanateCas Number: 17702-11-3Formula: C5H9NOS Molecular Weight: 131.2IUPAC Name: 1-isothiocyanato-3-methoxypropaneSMILES: COCCCN=C=SInChIKey: UKVFWFDXYBLOLU-UHFFFAOYSA-NInChI: InChI=1S/C5H9NOS/c1-7-4-2-3-6-5-8/h2-4H2,1H3Synonyms: 3-Methoxypropyl isothiocyanate|17702-11-3|1-Isothiocyanato-3-methoxypropane|Propane, 1-isothiocyanato-3-methoxy-|3-me...
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3-Buten-1-yl IsothiocyanateCas Number: 3386-97-8Formula: C5H7NS Molecular Weight: 113.18IUPAC Name: 4-isothiocyanatobut-1-eneSMILES: C=CCCN=C=SInChIKey: SKIHGKNFJKJXPX-UHFFFAOYSA-NInChI: InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2Synonyms: FEMA NO. 4418 | AKOS000276673 | BDBM50104735 | But-3-enyl isothiocyanate | 1-Butene 4-isothiocyanate | Isothiocyanic ...
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Isobutyl IsothiocyanateCas Number: 591-82-2 EC Number: 209-733-2Formula: C5H9NS Molecular Weight: 115.19IUPAC Name: 1-isothiocyanato-2-methylpropaneSMILES: CC(C)CN=C=SInChIKey: NSDDRJXKROCWRZ-UHFFFAOYSA-NInChI: InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3Synonyms: Isothiocyanic acid, isobutyl ester | I0186 | MFCD00022062 | BRN 1740371 | Q27273617 | 2-METHYL-1-PROPYL ISOTHIOCYANAT...
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Ethyl IsothiocyanateCas Number: 542-85-8 EC Number: 208-831-2Formula: C3H5NS Molecular Weight: 87.14IUPAC Name: isothiocyanatoethaneSMILES: CCN=C=SInChIKey: HBNYJWAFDZLWRS-UHFFFAOYSA-NInChI: InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3Synonyms: CHEBI:85098 | FT-0627522 | Ethane, isothiocyanato- | ETHYL ISOTHIOCYANATE [MI] | STL194264 | Isothiocyanic acid, ethy...
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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: alpha-D-Glucopyranose, 4-o-alpha-D-glucopyranosyl- | ETHYL CARBONISOTHIOCYANATIDATE | ethyl N-(sulfanylidenemethylide...
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Hexyl isothiocyanateCas Number: 4404-45-9 EC Number: 224-549-2Formula: CH3(CH2)5NCS Molecular Weight: 143.25IUPAC Name: 1-isothiocyanatohexaneSMILES: CCCCCCN=C=SInChIKey: WXYAXKKXIGHXDS-UHFFFAOYSA-NInChI: InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3Synonyms: 1-Isothiocyanatohexane # | EN300-17186 | SCHEMBL331230 | EINECS 224-549-2 | FEMA NO. 4422 | Z56899052 | Isothiocyanic...
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3-Thiocyanatoprop-1-yneCas Number: 24309-48-6 Compound CID: 123411Formula: C4H3NS Molecular Weight: 97.14IUPAC Name: 3-isothiocyanatoprop-1-yneSMILES: C#CCN=C=SInChIKey: XCXOHPXTLZMKQJ-UHFFFAOYSA-NInChI: InChI=1S/C4H3NS/c1-2-3-5-4-6/h1H,3H2Synonyms: MFCD00060417 | J-015441 | FT-0682056 | XCXOHPXTLZMKQJ-UHFFFAOYSA- | EN300-112450 | 3-isothiocyanatoprop-1-yne | XCXOH...
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ErucinCas Number: 4430-36-8Formula: C6H11NS2 Molecular Weight: 161.28IUPAC Name: 1-isothiocyanato-4-methylsulfanylbutaneSMILES: CSCCCCN=C=SInChIKey: IHQDGXUYTSZGOG-UHFFFAOYSA-NInChI: InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3Synonyms: Erucin | CTE370DL3U | 4-(METHYLTHIO)BUTYL ISOTHIOCYANATE [FHFI] | AR1G3839 | AR-1G3839 | (4-isothiocyanatobutyl)(meth...
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Ethyl 3-isothiocyanatopropionateCas Number: 17126-62-4Formula: C6H9NO2S Molecular Weight: 159.21IUPAC Name: ethyl 3-isothiocyanatopropanoateSMILES: CCOC(=O)CCN=C=SInChIKey: UPTRONYNXNYITM-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO2S/c1-2-9-6(8)3-4-7-5-10/h2-4H2,1H3Synonyms: Ethyl 3-isothiocyanatopropionate|17126-62-4|ethyl 3-isothiocyanatopropanoate|Ethyl 3-isothiocyanatopropionate,|3-Isot...
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Propyl IsothiocyanateFormula: C4H7NS Molecular Weight: 101.17IUPAC Name: 1-isothiocyanatopropaneSMILES: CCCN=C=SInChIKey: KKASGUHLXWAKEZ-UHFFFAOYSA-NInChI: InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3Synonyms: Isothiocyanic acid, propyl ester | FT-0627524 | J-670001 | D91136 | AI3-37783 | J-802263 | 1-isothiocynatopropane | 1...
