Name: Name:3-(4-MORPHOLINO)PROPYL ISOTHIOCYANATE
Brand: Angene
SKU: AG003I58
Rating: 90 (10 reviews)

3-(4-MORPHOLINO)PROPYL ISOTHIOCYANATE

CAS No.:

32813-50-6

Catalog Number:

AG003I58

Molecular Formula:

C8H14N2OS

Molecular Weight:

186.2746

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Product Description

Catalog Number:

AG003I58

Chemical Name:

3-(4-MORPHOLINO)PROPYL ISOTHIOCYANATE

CAS Number:

32813-50-6

Molecular Formula:

C8H14N2OS

Molecular Weight:

186.2746

MDL Number:

MFCD00041222

IUPAC Name:

4-(3-isothiocyanatopropyl)morpholine

InChI:

InChI=1S/C8H14N2OS/c12-8-9-2-1-3-10-4-6-11-7-5-10/h1-7H2

InChI Key:

BCEFDMYFAAAFPE-UHFFFAOYSA-N

SMILES:

S=C=NCCCN1CCOCC1

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.273g/mol

Monoisotopic Mass:

186.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Benzo[a]pyrene increases the Nrf2 content by downregulating the Keap1 message.	Toxicological sciences : an official journal of the Society of Toxicology 20100801
Anti-NF-kappaB and anti-inflammatory activities of synthetic isothiocyanates: effect of chemical structures and cellular signaling.	Chemico-biological interactions 20090515
3-Morpholinopropyl isothiocyanate is a novel synthetic isothiocyanate that strongly induces the antioxidant response element-dependent Nrf2-mediated detoxifying/antioxidant enzymes in vitro and in vivo.	Carcinogenesis 20080301

Properties