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

Technical Data

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Computed Properties

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 ℃ / 2 mmHg (lit.)
Density:	1.304 g/cm³
Appearance:	Colorless or white
MDL:	MFCD00167745
LogP:	2.27780

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

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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

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