AG008RZE

Name: 4-Isothiocyanato-1-methyl-1H-pyrazole
Brand: Angene Chemical
SKU: AG008RZE

1001500-53-3 | 4-Isothiocyanato-1-methyl-1H-pyrazole

AG008RZE

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CAS Number	1001500-53-3
Catalog Number	AG008RZE
Chemical Name	4-Isothiocyanato-1-methyl-1H-pyrazole
IUPAC Name	4-isothiocyanato-1-methylpyrazole
InChI	InChI=1S/C5H5N3S/c1-8-3-5(2-7-8)6-4-9/h2-3H,1H3
InChI Key	MTXQEKCAXHBISK-UHFFFAOYSA-N
MDL Number	MFCD04969718
Molecular Formula	C5H5N3S
Molecular Weight	139.1783
SMILES	CN1N=CC(N=C=S)=C1
Synonyms	4-isothiocyanato-1-methyl-1H-pyrazole, 1001500-53-3, 1-methylpyrazol-4-isothiocyanate, 1H-Pyrazole, 4-isothiocyanato-1-methyl-, SCHEMBL1784725, CTK8A7651, ZINC2537532, MFCD04969718, SBB021956, STK349592, AKOS000309853, MCULE-3590024022, ST45114951, ZINC02537532, CID7017563,

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	1.6

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