1-Methylthio-2-propanone

CAT: 0024-sc-264876Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264876Size:5 g

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CAS Number

14109-72-9

Chemical Information

1-Methylthio-2-propanone

(Methylthio)acetone is a ketone.

CAS Number	14109-72-9
PubChem CID	6430713
IUPAC Name	1-methylsulfanylpropan-2-one
Molecular Formula	C4H8OS
Molecular Weight	104.17
XLogP	0.6
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	51

SMILES

CC(=O)CSC

InChI

InChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3

InChIKey

UKFADLGENFFWHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14109-72-9

CID: 6430713

Formula: C4H8OS

MW: 104.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.17
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	104.02958605
Monoisotopic Mass	104.02958605
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	51.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-222497	1- (2-Thienyl) -1-propanone
sc-265038	1,3-Bis (methylthio) -2-propanol
sc-282754	2- (methylthio) propanoic acid
sc-209482	3- (Methylthio) -1-propanol
sc-504094	1-Bromo-1- (2-fluorophenyl) -2-propanone
sc-391569	1- (6-Benzofuranyl) -2-propanone
sc-222642A	1- (tert-Butyldimethylsilyloxy) -2-propanone
sc-222642	1- (tert-Butyldimethylsilyloxy) -2-propanone
sc-501193	1-[ (2-Chlorophenyl) thio]-2-propanone
sc-504045	1-Bromo-1,1-dichloro-2-propanone

Catalog	Name
TRC-M330578-5G	1-Methylthio-2-propanone
PC1013188-01	1-[2-Fluoro-5- (methylthio) phenyl]-1-propanone
OR1085843-01	1-[2-Methoxy-4- (methylthio) phenyl]-1-propanone
OR1085844	1-[2-Methoxy-5- (methylthio) phenyl]-1-propanone
OR1087080-01	2-Methyl-1-[5- (methylthio) -2-thienyl]-1-propanone
OR1087241-01	2,2-Dimethyl-1-[5- (methylthio) -2-thienyl]-1-propanone
OR1082758	1-[2-Methyl-6- (methylthio) -3-pyridinyl]-1-propanone
HY-158913-01	1-[4- (Methylthio) phenyl]-2-[ (phenylmethyl) amino]-1-propanone (hydrochloride)
PC1013288-01	1-[3-Fluoro-5- (methylthio) phenyl]-1-propanone
PC1013020	1-[4- (Methylthio) -3- (trifluoromethyl) phenyl]-1-propanone