AG003IW5

72760-85-1 | 3-Amino-5-(methylthio)-1H-pyrazole-4-carbonitrile

AG003IW5

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CAS Number	72760-85-1
Catalog Number	AG003IW5(AGN-PC-0WAINN)
Chemical Name	3-Amino-5-(methylthio)-1H-pyrazole-4-carbonitrile
IUPAC Name	5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
InChI	InChI=1S/C5H6N4S/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9)
InChI Key	IUVUVQGOSHLPJV-UHFFFAOYSA-N
MDL Number	MFCD00052745
Molecular Formula	C5H6N4S
Molecular Weight	154.1929
SMILES	N#CC1=C(SC)NN=C1N
Synonyms	72760-85-1, 3-Amino-5-(methylthio)-1H-pyrazole-4-carbonitrile, 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE, 3-Amino-4-cyano-5-methylthiopyrazole, 5-amino-3-(methylthio)-1H-pyrazole-4-carbonitrile, 3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile, MFCD00052745, 5-amino-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile, 5-amino-3-methylthiopyrazole-4-carbonitrile, 1220856-99-4, 1H-Pyrazole-4-carbonitrile,3-amino-5-(methylthio)-, 5-Amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile, ASN 12371813, AC1LEHL6, AC1Q4R9H, 1h-pyrazole-4-carbonitrile, 3-amino-5-(methylthio)-, SCHEMBL3749343, CTK5D6772, DTXSID60352956, IUVUVQGOSHLPJV-UHFFFAOYSA-N, HMS1700L11, ZINC4992715, 1291AC, SBB028313, STK009133, AKOS000538552, AKOS002391191, MCULE-3746011532, VP20074, 3-Amino-4-cyano-5-(methylthio)pyrazole, AJ-52836, AK115562, BC289583, CC-14131, SC-82700, 3-Amino-4-cyano-5-methylthio-1H-pyrazole, 3-amino-5-methylthiopyrazole-4-carbonitrile, 5-Amino-4-cyano-3-methylthio-1H-pyrazole, AX8002764, DB-022229, 4CH-000714, FT-0641421, ST24041756, ST50316027, 5-Amino-3-methylthio-1H-pyrazole-4-carbonitrile, A837609, C-03348, 3-amino-5-methylsulfanyl-1H-pyrazole-4-carbonitrile, I09-3207, 5-azanyl-3-methylsulfanyl-1H-pyrazole-4-carbonitrile, A4103/0174937, C5H6N4S, AR-1C3852, CID736200, A-2545, 3-Amino-5-(methylthio)pyrazole-4-carbonitrile, 97% 1g, 73500-89-7,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.031g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	154.191g/mol
Monoisotopic Mass	154.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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