AG009PY3

Name: 3-isothiocyanato-1-methyl-1H-pyrazole
Brand: Angene Chemical
SKU: AG009PY3

114874-28-1 | 3-isothiocyanato-1-methyl-1H-pyrazole

AG009PY3

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CAS Number	114874-28-1
Catalog Number	AG009PY3(AGN-PC-0KREE6)
Chemical Name	3-isothiocyanato-1-methyl-1H-pyrazole
IUPAC Name	3-isothiocyanato-1-methylpyrazole
InChI	InChI=1S/C5H5N3S/c1-8-3-2-5(7-8)6-4-9/h2-3H,1H3
InChI Key	FAHDFYMNSZOLPZ-UHFFFAOYSA-N
MDL Number	MFCD03945353
Molecular Formula	C5H5N3S
Molecular Weight	139.1783
SMILES	CN1N=C(N=C=S)C=C1
Synonyms	3-isothiocyanato-1-methyl-1H-pyrazole, 114874-28-1, 1-methylpyrazol-3-isothiocyanate, 3-isothiocyanato-1-methylpyrazole, AC1MMLUQ, SCHEMBL9371954, CTK6I2527, ZINC2522255, MFCD03945353, SBB021958, STK349593, AKOS000309858, FS-5736, MCULE-7192721714, ST45074209, 1H-Pyrazole,3-isothiocyanato-1-methyl-(9CI), ZINC02522255, CID3263056, 1H-Pyrazole, 3-isothiocyanato-1-methyl- (9CI),

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.02g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	139.176g/mol
Monoisotopic Mass	139.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited