(Cyclopropylmethyl)isothiocyanate - CAS 6068-90-2

Catalog:	BB030773
Product Name:	(Cyclopropylmethyl)isothiocyanate
CAS:	6068-90-2
Synonyms:	isothiocyanatomethylcyclopropane; isothiocyanatomethylcyclopropane

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	isothiocyanatomethylcyclopropane
Description:	(Cyclopropylmethyl)isothiocyanate (CAS# 6068-90-2) is a useful research chemical.
Molecular Weight:	113.18
Molecular Formula:	C5H7NS
Canonical SMILES:	C1CC1CN=C=S
InChI:	InChI=1S/C5H7NS/c7-4-6-3-5-1-2-5/h5H,1-3H2
InChI Key:	YRJONJBJAYHHQB-UHFFFAOYSA-N
Boiling Point:	191.2 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD00052446
LogP:	1.49920

Publication Number	Title	Priority Date
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
AU-2016263083-A1	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515
AU-2016263083-B2	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515
CA-2985642-A1	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515
CN-107849024-A	With as indoleamine 2, the benzimidazole and imidazopyridine imido of 3 dioxygenase inhibitor activities are for benzamide compound	20150515

PMID	Publication Date	Title	Journal
16854016	20060727	Conformational studies of cyclopropylmethyl isothiocyanate from temperature-dependent FT-IR spectra of rare gas solutions and ab initio calculations	The journal of physical chemistry. A

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

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[6633-90-5]
1,4-Butanedithiol diacetate
[1879-16-9]
4-Methoxythioanisole
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate

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

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.02992040
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.02992040
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3