AG003F3N

7666-04-8 | 2-(Methylsulfanyl)-1H-imidazole

AG003F3N

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CAS Number	7666-04-8
Catalog Number	AG003F3N(AGN-PC-0JMNW3)
Chemical Name	2-(Methylsulfanyl)-1H-imidazole
IUPAC Name	2-methylsulfanyl-1H-imidazole
InChI	InChI=1S/C4H6N2S/c1-7-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
InChI Key	SVOCLWUDDWXHFW-UHFFFAOYSA-N
MDL Number	MFCD19216815
Molecular Formula	C4H6N2S
Molecular Weight	114.1688
SMILES	CSC1NC=CN=1
Synonyms	2-(Methylthio)imidazole, 7666-04-8, 2-methylthio-imidazole, 2-(Methylthio)-1H-imidazole, 1H-Imidazole, 2-(methylthio)-, 2-(methylsulfanyl)-1H-imidazole, 2-Methylsulfanyl-1H-imidazole, methylmercaptoimidazol, 2-Methylmercaptoimidazole, AC1L34ZP, AC1Q4H5H, AC1Q7E2H, SCHEMBL8874, CHEMBL61455, SVOCLWUDDWXHFW-UHFFFAOYSA-N, 2-(methyl sulfanyl)-1H-imidazole, ZINC1671795, 5294AJ, MFCD19216815, AKOS006347240, MCULE-8421202776, NE49975, BC600114, CS-11587, SY025774, EN300-93116, MFCD19216815 (95%), A1-00221, Z1269638421, Hexacontane, C4H6N2S, AR-1C3450, CID134652, 1002-35-3, 20532-28-9,

Complexity	57.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.025g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.166g/mol
Monoisotopic Mass	114.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number