Benzhydryl isothiocyanate - CAS 3550-21-8

Catalog:	BB022661
Product Name:	Benzhydryl isothiocyanate
CAS:	3550-21-8
Synonyms:	[isothiocyanato(phenyl)methyl]benzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	[isothiocyanato(phenyl)methyl]benzene
Description:	Benzhydryl isothiocyanate (CAS# 3550-21-8) is a useful research chemical.
Molecular Weight:	225.31
Molecular Formula:	C14H11NS
Canonical SMILES:	C1=CC=C(C=C1)C(C2=CC=CC=C2)N=C=S
InChI:	InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChI Key:	WDOSFTZMBFYTED-UHFFFAOYSA-N
Boiling Point:	160-165 °C / 4 mmHg
Density:	1.05 g/cm³
MDL:	MFCD00046815
LogP:	3.87880

Publication Number	Title	Priority Date
CN-111704620-A	High-optical-purity [3, 2' ] -pyrrolidine chiral spiro-oxoindole skeleton compound, and preparation method and application thereof	20200724
AU-2016365314-A1	Methods for inhibiting conversion of choline to trimethylamine (TMA)	20151201
AU-2016365316-A1	Methods for inhibiting conversion of carnitine to trimethylamine (TMA)	20151201
AU-2019280094-A1	Methods for inhibiting conversion of choline to trimethylamine (tma)	20151201
CA-3007061-A1	Methods for inhibiting conversion of carnitine to trimethylamine (tma)	20151201

PMID	Publication Date	Title	Journal
22347010	20120201	Diphenyl-methyl isothio-cyanate	Acta crystallographica. Section E, Structure reports online

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Sulfur Compounds

[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.06122053
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.06122053
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5