AG000Q2D

Name: 1-[(4-Methylphenyl)thio]acetone
Brand: Angene Chemical
SKU: AG000Q2D

1200-13-1 | 1-[(4-Methylphenyl)thio]acetone

AG000Q2D

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CAS Number	1200-13-1
Catalog Number	AG000Q2D(AGN-PC-0KKZVG)
Chemical Name	1-[(4-Methylphenyl)thio]acetone
IUPAC Name	1-(4-methylphenyl)sulfanylpropan-2-one
InChI	InChI=1S/C10H12OS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,7H2,1-2H3
InChI Key	CYDGCRNQPJVYSN-UHFFFAOYSA-N
MDL Number	MFCD00052713
Molecular Formula	C10H12OS
Molecular Weight	180.2667
SMILES	CC(CSC1=CC=C(C)C=C1)=O
Synonyms	(4-Methylphenylthio)acetone, 1200-13-1, 1-[(4-Methylphenyl)thio]acetone, P-(TOLYLTHIO)ACETONE, 1-[(4-methylphenyl)sulfanyl]propan-2-one, 1-(p-Tolylthio)propan-2-one, CYDGCRNQPJVYSN-UHFFFAOYSA-N, MFCD00052713, 2-Propanone,1-[(4-methylphenyl)thio]-, 1-(4-methylphenylthio)acetone, ACMC-20apmx, 1-(p-Tolylthio)acetone, AC1MCWJ4, SCHEMBL787870, CTK4B1631, DTXSID60381584, ZINC156253, 1-(p-tolyl sulfanyl)propan-2-one, 1-(p-tolylsulfanyl)-propan-2-one, 0827AD, SBB089710, AKOS005199223, FS-1059, MCULE-1652837095, 1-(4-methylphenyl)sulfanylpropan-2-one, KS-0000256M, TR-003325, FT-0604791, ST50407124, 1-[(4-Methylphenyl)thio]acetone, AldrichCPR, I09-2588, C10H12OS, ZINC00156253, CID2779874,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.265g/mol
Monoisotopic Mass	180.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited