Isothiocyanates

Description:

Organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.

Ancestors:

Organic compounds ⮕ Organosulfur compounds ⮕ Isothiocyanates

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methoxycarbonyl isothiocyanate
CAS: 35266-49-0 PubChem CID: 552246

≥98%

Out of Stock Item #: M770214

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Technical Identifiers

IUPAC Name

methyl N-(sulfanylidenemethylidene)carbamate

SMILES

COC(=O)N=C=S

InChIKey
LBFAAYMITJMZOC-UHFFFAOYSA-N

InChI

1S/C3H3NO2S/c1-6-3(5)4-2-7/h1H3
3-Methylbutyl isothiocyanate
CAS: 628-03-5 EC Number: 671-299-9 PubChem CID: 79086 Formula: C₆H₁₁NS Molecular Weight: 129.23

Liquid ≥97%

Out of Stock Item #: M694651

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Technical Identifiers

IUPAC Name

1-isothiocyanato-3-methylbutane

SMILES

CC(C)CCN=C=S

InChIKey
JATNWMBUDXLMEO-UHFFFAOYSA-N

InChI

1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3

Synonyms
1-Isothiocyanato-3-methylbutane
Ethoxycarbonyl isothiocyanate
CAS: 16182-04-0 EC Number: 240-318-9 Formula: SCNCOOCH₂CH₃ Molecular Weight: 131.15

≥95%

In Stock Item #: E638552

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IUPAC Name

ethyl N-(sulfanylidenemethylidene)carbamate

SMILES

CCOC(=O)N=C=S

InChIKey
BDTDECDAHYOJRO-UHFFFAOYSA-N

InChI

1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3

Synonyms
Ethoxycarbonyl isothiocyanate|16182-04-0|Ethyl isothiocyanatoformate|Ethoxycarbonylisothiocyanate|Carbethoxy isothioc...
1,4-Butane diisothiocyanate
CAS: 4430-51-7 Formula: C₆H₈N₂S₂ Molecular Weight: 172.27

≥97%

In Stock Item #: B469221

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IUPAC Name

1,4-diisothiocyanatobutane

SMILES

C(CCN=C=S)CN=C=S

InChIKey
RRSISCMPUAGVJN-UHFFFAOYSA-N

InChI

1S/C6H8N2S2/c9-5-7-3-1-2-4-8-6-10/h1-4H2

Synonyms
1,4-Diisothiocyanatobutane # | 1,4-Butane diisothiocyanate | 1,4-Butane diisothiocyanate, 97% | AKOS005257591 | GEO-0...
Allyl isothiocyanate
CAS: 57-06-7 EC Number: 200-309-2 Formula: C₄H₅NS Molecular Weight: 99.15

Liquid ≥95% stabilized with BHT

In Stock Item #: A477314

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IUPAC Name

3-isothiocyanatoprop-1-ene

SMILES

C=CCN=C=S

InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N

InChI

1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

Synonyms
Allyl isothiocyanate (natural) | ALLYL ISOTHIOCYANATE [WHO-DD] | AB01563144_01 | CHEBI:73224 | EN300-19008 | Senf oel...
Methallyl isothiocyanate
CAS: 41834-90-6 Formula: C₅H₇NS Molecular Weight: 113.18

Technical grade ?

Out of Stock Item #: M476819

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IUPAC Name

3-isothiocyanato-2-methylprop-1-ene

SMILES

CC(=C)CN=C=S

InChIKey
SFCQVEDGNZVACI-UHFFFAOYSA-N

InChI

1S/C5H7NS/c1-5(2)3-6-4-7/h1,3H2,2H3
Cyclododecyl isothiocyanate
CAS: 59037-64-8 Formula: C₁₃H₂₃NS Molecular Weight: 225.4

≥95%

In Stock Item #: C348606

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IUPAC Name

isothiocyanatocyclododecane

SMILES

C1CCCCCC(CCCCC1)N=C=S

InChIKey
VSCLPFIUOOBLQJ-UHFFFAOYSA-N

InChI

1S/C13H23NS/c15-12-14-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2

Synonyms
Isothiocyanatocyclododecane
Acetyl isothiocyanate
CAS: 13250-46-9 Formula: C₃H₃NOS Molecular Weight: 101.13

Liquid ≥97%

Out of Stock Item #: A341224

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IUPAC Name

acetyl isothiocyanate

SMILES

CC(=O)N=C=S

InChIKey
VITFJKNVGRZRKB-UHFFFAOYSA-N

InChI

1S/C3H3NOS/c1-3(5)4-2-6/h1H3

Synonyms
EN300-04690 | DTXSID80157602 | ethanecarbonyl isothiocyanate | VITFJKNVGRZRKB-UHFFFAOYSA-N | J-006183 | ethanoyl isot...
tert-Butyl isothiocyanate
CAS: 590-42-1 EC Number: 209-682-6 Formula: C₅H₉NS Molecular Weight: 115.2

≥99%

In Stock Item #: B101363

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IUPAC Name

2-isothiocyanato-2-methylpropane

SMILES

CC(C)(C)N=C=S

InChIKey
ZFWFRTVIIMTOLY-UHFFFAOYSA-N

InChI

1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

Synonyms
Propane, 2-isothiocyanato-2-methyl- | DTXSID9060441 | tertiary butyl isothiocyanate | 2-Isothiocyanato-2-methylpropan...
sec-Butyl Isothiocyanate
CAS: 4426-79-3 EC Number: 224-609-8 Formula: C₅H₉NS Molecular Weight: 115.19

≥98%(GC)

In Stock Item #: B140604

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Technical Identifiers

IUPAC Name

2-isothiocyanatobutane

SMILES

CCC(C)N=C=S

InChIKey
TUFJIDJGIQOYFY-UHFFFAOYSA-N

InChI

1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

Synonyms
4-TRIFLUOROMETHYLPHENYLACETONITRILE | BBL027965 | BDBM50096278 | J-802072 | 2-BUTYL ISOTHIOCYANATE, (+/-)- | AKOS0160...
3-(Methylthio)propyl isothiocyanate
CAS: 505-79-3 EC Number: 208-020-3 Formula: C₅H₉NS₂ Molecular Weight: 147.25

≥98%

In Stock Item #: M133859

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Technical Identifiers

IUPAC Name

1-isothiocyanato-3-methylsulfanylpropane

SMILES

CSCCCN=C=S

InChIKey
LDKSCZJUIURGMW-UHFFFAOYSA-N

InChI

1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3

Synonyms
(3-isothiocyanatopropyl)(methyl)sulfane | BP-12929 | AKOS000120740 | 3-(Methylthio)propyl isothiocyanate, >=98%, FG |...
3-(Diethylamino)propyl isothiocyanate
CAS: 2626-52-0 Formula: C₈H₁₆N₂S Molecular Weight: 172.29

≥97%

Out of Stock Item #: D169136

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IUPAC Name

N,N-diethyl-3-isothiocyanatopropan-1-amine

SMILES

CCN(CC)CCCN=C=S

InChIKey
QPBVKSLJBRCKIF-UHFFFAOYSA-N

InChI

1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3

Synonyms
3-(Diethylamino)propyl isothiocyanate, 97% | diethyl-(3-isothiocyanato-propyl)-amine | diethyl(3-isothiocyanatopropyl...

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