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- 1 g
- Purity
- 98%
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CAS Number: 622-78-6
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CAS Number
622-78-6
PubChem CID
2346
Molecular Formula
C8H7NS
Molecular Weight
149.21 g/mol
Exact Mass
149.02992
InChIKey
MDKCFLQDBWCQCV-UHFFFAOYSA-N
IUPAC Name
isothiocyanatomethylbenzene
SMILES String
C1=CC=C(C=C1)CN=C=S
Melting Point
41.0 °C
Boiling Point
242–243 °C
Density
1.12 g/cm³
Water Solubility
0.109 mol/L
Refractive Index
1.6
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Benzyl Isothiocyanate (CAS 622-78-6) is listed in the Advanced Chemicals portfolio, with molecular formula C8H7NS and molecular weight 149. 21 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Transient receptor potential cation channel subfamily A member 1 (Homo sapiens) — 7 assays; Macrophage migration inhibitory factor (Homo sapiens) — 5 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Glutathione S-transferase kappa 1 (Homo sapiens) — 6 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Transient receptor potential cation channel subfamily A member 1
Homo sapiens · SINGLE PROTEIN · 7 qualifying assays · 3 documents · best pChEMBL 6.6
Experimental evidence source: ChEMBL
Macrophage migration inhibitory factor
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 3 documents · best pChEMBL 6.28
Experimental evidence source: ChEMBL
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.25
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.6
Experimental evidence source: ChEMBL
Glutathione S-transferase kappa 1
Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Benzyl Isothiocyanate is identified by CAS 622-78-6, with molecular formula C8H7NS, molecular weight 149.21, InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Transient receptor potential cation channel subfamily A member 1, Macrophage migration inhibitory factor, Nuclear receptor ROR-gamma, Cytochrome P450 3A4, Glutathione S-transferase kappa 1. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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