AG003HIF

38521-06-1 | 2-Mercaptopyrazine

AG003HIF

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CAS Number	38521-06-1
Catalog Number	AG003HIF(AGN-PC-0KZ2AT)
Chemical Name	2-Mercaptopyrazine
IUPAC Name	1H-pyrazine-2-thione
InChI	InChI=1S/C4H4N2S/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChI Key	HKAVADYDPYUPRD-UHFFFAOYSA-N
MDL Number	MFCD00235012
Molecular Formula	C4H4N2S
Molecular Weight	112.1530
SMILES	SC1=NC=CN=C1
Synonyms	2-mercaptopyrazine, 2-Mercaptopyrazine, 38521-06-1, pyrazine-2-thiol, 2(1H)-Pyrazinethione, 1H-pyrazine-2-thione, 2-pyrazinethiol, 1,2-dihydropyrazine-2-thione, 2-MERCAPTO PYRAZINE, pyrazinthione, mercaptopyrazine, AC1MVZHH, ACMC-20c4gd, AC1Q7F2R, SCHEMBL325324, CTK1C1980, CTK8A8327, DTXSID20395425, HKAVADYDPYUPRD-UHFFFAOYSA-N, 2-Mercaptopyrazine, 97% (HPLC), EBD21320, ZINC5521958, 2178AE, MFCD00235012, AKOS000200451, AKOS008093149, MCULE-2765988284, NE45317, RP19065, RTC-020281, TRA0057352, KS-0000016G, AM100749, CJ-12648, SC-94907, TC-020281, FT-0691851, EN300-27379, A19849, 521M061, I03-0404, Q-200298, 2-Mercaptopropionic acid, C4H4N2S, 5-bromo-2-chloro-4-fluoroanisole, CID3716002, 2,6-Dichloropyridine-3-carboxylic acid, 1-bromo-4-chloro-2-fluoro-5-methoxy-benzene, 146447-18-9,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.01g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.15g/mol
Monoisotopic Mass	112.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P280-P301+P312+P330-P305+P351+P338+P310
UN Code	UN 1760

Certificate of Analysis

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