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251852

Sigma-Aldrich

tert-Butyl isothiocyanate

99%

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About This Item

Linear Formula:
(CH3)3CNCS
CAS Number:
590-42-1
Molecular Weight:
115.20
EC Number:
209-682-6
MDL number:
MFCD00004816
UNSPSC Code:
12352100
PubChem Substance ID:
24855161
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.48 (lit.)

bp

30-32 °C/10 mmHg (lit.)

mp

10.5-11.5 °C (lit.)

density

0.908 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)N=C=S

InChI

1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

InChI key

ZFWFRTVIIMTOLY-UHFFFAOYSA-N

Related Categories

General description

Adsorption of tert-butyl isothiocyanate at the Ge (100) surface was studied using multiple internal reflection FTIR spectroscopy, X-ray photoelectron spectroscopy and density functional theory modeling.

Application

tert-Butyl isothiocyanate has been used to modify the pore size of top layer of heterostructured surface mounted metal-organic frameworks.

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

100.4 °F - closed cup

Flash Point(C)

38 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Reaction of tert -butyl isocyanate and tert-butyl isothiocyanate at the Ge (100)- 2? 1 Surface.
Loscutoff PW, et al.
Surface Science, 604(19), 1791-1799 (2010)
Min Tu et al.
Dalton transactions (Cambridge, England : 2003), 42(45), 16029-16035 (2013-08-10)
Heterostructured surface mounted metal-organic frameworks (SURMOFs) [Cu2(NH2-bdc)2(dabco)] (B) on top of [Cu2(bdc)2(dabco)] (A) were deposited on pyridyl-terminated Au covered QCM substrate using a step-by-step liquid phase epitaxial growth method. Sequentially, the pore size of the top layer [Cu2(NH2-bdc)2(dabco)] (B) was
E Fontana et al.
Current drug metabolism, 6(5), 413-454 (2005-10-27)
The inhibition of human cytochrome P450s (CYPs) is one of the most common mechanisms which can lead to drug-drug interactions. The inhibition of CYPs can be reversible (competitive or non-competitive) or irreversible. Irreversible inhibition usually derives from activation of a

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