1-ethyl-4-isothiocyanato-1H-pyrazole, 95%

Name: 1-ethyl-4-isothiocyanato-1H-pyrazole
Brand: Chempure

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CAS Number

1006471-59-5

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IUPAC name	1-ethyl-4-isothiocyanatopyrazole
inchi	InChI=1S/C6H7N3S/c1-2-9-4-6(3-8-9)7-5-10/h3-4H,2H2,1H3
inchi key	MWCHISUUNOOCKK-UHFFFAOYSA-N
molecular formula	C6H7N3S
synonyms	1-ethyl-4-isothiocyanato-1H-pyrazole 1006471-59-5 1-ethyl-4-isothiocyanatopyrazole SCHEMBL1783370 AKOS000309854

Computed Properties

Molecular Weight:	153.21 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	153.03606841 g/mol
Monoisotopic Mass:	153.03606841 g/mol
Topological Polar Surface Area:	62.3 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	153
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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Product No: AX3010

1-ethyl-4-isothiocyanato-1H-pyrazole, 95%

Product No: AX3010

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