AG0012DG

13679-85-1 | 3(2H)-Thiophenone, dihydro-2-methyl-

AG0012DG

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CAS Number	13679-85-1
Catalog Number	AG0012DG(AGN-PC-0WACVH)
Chemical Name	3(2H)-Thiophenone, dihydro-2-methyl-
EC Number	237-183-3
FEMA Number	3512
IUPAC Name	2-methylthiolan-3-one
InChI	InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChI Key	YMZZPMVKABUEBL-UHFFFAOYSA-N
MDL Number	MFCD00078280
Molecular Formula	C5H8OS
Molecular Weight	116.1814
SMILES	CC1SCCC1=O
Synonyms	2-methyltetrahydrothiophen-3-one, 13679-85-1, 2-Methyltetrahydrothiophen-3-one, Dihydro-2-methyl-3(2H)-thiophenone, 2-Methylthiolan-3-one, 2-Methyldihydrothiophen-3(2H)-one, 3(2H)-Thiophenone, dihydro-2-methyl-, 2-Methyltetrahydrothiophene-3-one, 2-Methyl-3-oxotetrahydrothiophene, 2-Methyl-4,5-dihydro-3(2H)-thiophenone, 2-Methyl-3-tetrahydrothiophenone, MFCD00078280, xI-Dihydro-2-methyl-3(2H)-thiophenone, FEMA No. 3512, Dihydro-2-methyl-3-thiophenone, EINECS 237-183-3, Dihydro-2-methylthiophen-3(2H)-one, blackberry thiophenone, 2-Methylthiolan-3-on, 2-Methyl-3-thiolanone, AC1L1VOS, Thiolan-3-one, 2-methyl, ACMC-1C18M, KSC490E3B, SCHEMBL441187, 2-Methytetrahydrothiophen-3-one, Jsp002220, CHEBI:87506, CTK3J0230, 2-methyl tetrahydrothiophen-3-one, YMZZPMVKABUEBL-UHFFFAOYSA-N, 2-Methyldihydro-3(2H)-thiophenone, KS-00000Z7M, 6512AA, ANW-20181, AKOS005207154, Dihydro-3(2H)-thiophenone, 2-methyl, FS-4547, NE11192, Thiophen-3(2H)-one, dihydro-2-methyl, 74015-70-6, AK-58634, AN-18477, SY003998, 2-Methyltetrahydrothiophen-3-one, >=97%, 4,5-dihydro-2-methyl-3(2H)-thiophenone, 4,5-Dihydro-2-methylthiophen-3(2H)-one, AB1001831, DB-003629, RT-002151, FT-0613086, M1839, ST24040895, MFCD00078280 (95%), 2-Methyltetrahydrothiophen-3-one, >=97%, FG, 679M851, I09-0483, Q-100144, 6694-77-5, UNII-TN0FKW9W4K, C5H8OS, TN0FKW9W4K, C5-H8-O-S, CID61664, ZINC05227203, 2-Methyltetrahydrothiophen-3-one, 97% - 5G 5g,

Complexity	90.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.03g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	116.178g/mol
Monoisotopic Mass	116.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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