AG004ZRG

81104-42-9 | 4-(METHYLTHIO)BENZHYDRAZIDE

AG004ZRG

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CAS Number	81104-42-9
Catalog Number	AG004ZRG(AGN-PC-0JNZ9B)
Chemical Name	4-(METHYLTHIO)BENZHYDRAZIDE
IUPAC Name	4-methylsulfanylbenzohydrazide
InChI	InChI=1S/C8H10N2OS/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChI Key	AHUNGRSFNOFSNE-UHFFFAOYSA-N
MDL Number	MFCD01310830
Molecular Formula	C8H10N2OS
Molecular Weight	182.2428
NSC Number	101467
SMILES	O=C(NN)C1=CC=C(SC)C=C1
Synonyms	81104-42-9, 4-(Methylthio)benzhydrazide, 4-(methylthio)benzohydrazide, 4-(methylsulfanyl)benzohydrazide, 4-methylsulfanylbenzohydrazide, NSC101467, AC1L6DYO, AC1Q5ELC, NCIOpen2_001907, SCHEMBL2830827, 4-methylthiobenzenecarbohydrazide, CTK5E8464, DTXSID60295354, AHUNGRSFNOFSNE-UHFFFAOYSA-N, ZINC1667934, 1-methylthiobenzene-4-carbohydrazide, 0024AF, MFCD01310830, AKOS008968970, 4-Methylsulfanyl-benzoic acid hydrazide, MCULE-6774537543, NSC-101467, 4-(Methylthio)benzhydrazide, AldrichCPR, Benzoic acid,4-(methylthio)-, hydrazide, DA-03159, Benzoic acid, 4-(methylthio)-, hydrazide, TR-033034, FT-0676425, ST51041933, C-5882, A840043, I01-14672, 4- BENZHYDRAZIDE, C8H10N2OS, AR-1F7107, CID265435, 82407-98-5,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.241g/mol
Monoisotopic Mass	182.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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