AG00DDZ6

55764-25-5 | S-(2-Methylfuran-3-yl) o-hydrogen carbonothioate

AG00DDZ6

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CAS Number	55764-25-5
Catalog Number	AG00DDZ6(AGN-PC-0JLGHR)
Chemical Name	S-(2-Methylfuran-3-yl) o-hydrogen carbonothioate
EC Number	259-801-0
FEMA Number	3973
IUPAC Name	S-(2-methylfuran-3-yl) ethanethioate
InChI	InChI=1S/C7H8O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H,1-2H3
InChI Key	PQFIBPDAGFGLBY-UHFFFAOYSA-N
MDL Number	MFCD01632595
Molecular Formula	C7H8O2S
Molecular Weight	156.2022
SMILES	CC(SC1=C(C)OC=C1)=O
UNII	7277JEE7AF
Synonyms	55764-25-5, 2-Methylfuran-3-thiol acetate, 3-(Acetylthio)-2-methylfuran, Ethanethioic acid, S-(2-methyl-3-furanyl) ester, S-(2-methylfuran-3-yl) ethanethioate, s-(2-methyl-3-furyl) thioacetate, S-(2-Methyl-3-furyl) ethanethioate, 2-Methyl-3-furanthiol, acetate, UNII-7277JEE7AF, 7277JEE7AF, Thioacetic acid S-(2-methyl-3-furyl) ester, Q-100646, MFT Acetate, 3-Acetylthio-2-methylfuran, AC1L34QD, AC1Q68SS, 2-Methylfuran-3-thioacetate, 2-Methyl-3-furyl thioacetate, SCHEMBL921135, DTXSID5069047, PQFIBPDAGFGLBY-UHFFFAOYSA-N, S-2-methylfuran-3-yl ethanethioate, ZINC2382899, EINECS 259-801-0, MFCD01632595, s-(2-methyl-3-furyl)-ethanethioate, AKOS015950878, S-(2-methyl-3-furyl) ethane thioate, FCH4015826, AK307418, AN-40303, 2-Methyl-3-furanthiol acetate, 98%, FG, DB-072047, FT-0082205, FT-0602080, M2661, 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one, Ethanethioic acid,S-(2-methyl-3-furanyl) ester, 764M255, 2-Methyl-3-furanthiol acetate, 2-METHYLFURAN-3-THIOLACETATE, AR-1L3343, CID108765, ZINC02382899, 573-27-3,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.199g/mol
Monoisotopic Mass	156.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	danger
UN Code	UN 3272

Certificate of Analysis

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