N-Boc-4-isothiocyanatobutylamine - CAS 247035-47-8

Catalog:	BB018586
Product Name:	N-Boc-4-isothiocyanatobutylamine
CAS:	247035-47-8
Synonyms:	tert-butyl N-(4-isothiocyanatobutyl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-isothiocyanatobutyl)carbamate
Description:	N-Boc-4-isothiocyanatobutylamine (CAS# 247035-47-8 ) is a useful research chemical.
Molecular Weight:	230.33
Molecular Formula:	C10H18N2O2S
Canonical SMILES:	CC(C)(C)OC(=O)NCCCCN=C=S
InChI:	InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-7-5-4-6-11-8-15/h4-7H2,1-3H3,(H,12,13)
InChI Key:	KWATYFKNNFFFSH-UHFFFAOYSA-N
Boiling Point:	356.1 °C at 760 mmHg
Purity:	97.0+ %
Density:	1.067 g/cm³
Storage:	2-8 °C
MDL:	MFCD01862958
LogP:	2.78500

Publication Number	Title	Priority Date
WO-2020247973-A1	Methods and compositions for treating cancer with cancer-targeted adjuvants	20190603
WO-2019051428-A1	CAS9 ANTIBODY MEDIA ADMINISTRATION TO MAMMALIAN CELLS	20170911
EP-3681999-A1	Antibody-mediated delivery of cas9 to mammalian cells	20170911
US-2020362038-A1	Antibody-mediated delivery of cas9 to mammalian cells	20170911
EP-3655104-A1	An osteoadsorptive fluorogenic substrate of cathepsin k for imaging osteoclast activity and migration	20170715

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Related Functional Groups

Sulfur Compounds

[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[874-87-3]
4-(Methylthio)benzyl chloride

GHS Hazard Statement:	H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement:	P261, P284, P304+P340, P342+P316, and P501
Signal Word:	Danger

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.10889899
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.10889899
Rotatable Bond Count:	7
Topological Polar Surface Area:	82.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3