5-isothiocyanatoquinoline, 95%

Name: 5-isothiocyanatoquinoline
Brand: Chempure

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CAS Number

1001183-84-1

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About this item

IUPAC name	5-isothiocyanatoquinoline
inchi	InChI=1S/C10H6N2S/c13-7-12-10-5-1-4-9-8(10)3-2-6-11-9/h1-6H
inchi key	PHYKIILAWGSZIA-UHFFFAOYSA-N
molecular formula	C10H6N2S
synonyms	5-isothiocyanatoquinoline 1001183-84-1 5-isothiocyanato quinoline 5-Isothiocyanato-quinoline SCHEMBL4726688

Computed Properties

Molecular Weight:	186.24 g/mol
XLogP3:	4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	186.02516937 g/mol
Monoisotopic Mass:	186.02516937 g/mol
Topological Polar Surface Area:	57.3 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	223
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AX0452

5-isothiocyanatoquinoline, 95%

Product No: AX0452

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Product No: AX0452

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Require a Sample Certificate of Analysis (COA) ?