exo-2-Norbornylisothiocyanate - CAS 14370-23-1
Catalog: |
BB009651 |
Product Name: |
exo-2-Norbornylisothiocyanate |
CAS: |
14370-23-1 |
Synonyms: |
2-isothiocyanatobicyclo[2.2.1]heptane |
IUPAC Name: | 2-isothiocyanatobicyclo[2.2.1]heptane |
Description: | exo-2-Norbornylisothiocyanate (CAS# 14370-23-1) is a useful research chemical. |
Molecular Weight: | 153.24 |
Molecular Formula: | C8H11NS |
Canonical SMILES: | C1CC2CC1CC2N=C=S |
InChI: | InChI=1S/C8H11NS/c10-5-9-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2 |
InChI Key: | RBGDFYZLQKZUCO-UHFFFAOYSA-N |
Boiling Point: | 81-83 °C / 2 mmHg (lit.) |
Density: | 1.304 g/cm3 |
Appearance: | Colorless or white |
MDL: | MFCD00167745 |
LogP: | 2.27780 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2017151208-A1 | Methods for inhibiting conversion of choline to trimethylamine (tma) | 20151201 |
US-2017151250-A1 | Methods for inhibiting conversion of carnitine to trimethylamine (tma) | 20151201 |
US-10780072-B2 | Methods for inhibiting conversion of choline to trimethylamine (TMA) | 20151201 |
US-10786479-B2 | Methods for inhibiting conversion of carnitine to trimethylamine (TMA) | 20151201 |
EP-3383376-B1 | Methods for inhibiting conversion of carnitine to trimethylamine (tma) | 20151201 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.06122053 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.06122053 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.4 Å2 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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