2,6-Dimethylthioanisole

CAT: 0024-sc-283458Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-283458Size:5 g

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CAS Number

4163-79-5

Chemical Information

2,6-Dimethylthioanisole

CAS Number	4163-79-5
PubChem CID	525338
IUPAC Name	1,3-dimethyl-2-methylsulfanylbenzene
Molecular Formula	C9H12S
Molecular Weight	152.26
XLogP	3.2
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	90

SMILES

CC1=C(C(=CC=C1)C)SC

InChI

InChI=1S/C9H12S/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3

InChIKey

ITVXUDPAZIIEKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4163-79-5

CID: 525338

Formula: C9H12S

MW: 152.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.26
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	152.06597156
Monoisotopic Mass	152.06597156
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.9
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-322091	2,5-Dimethylthioanisole
sc-322076	2,4-Dimethylthioanisole
sc-335873	3,5-Dimethylthioanisole
sc-322734	3,4-Dimethylthioanisole
sc-227106	6,6''-Dibromo-2,2':6',2''-terpyridine
sc-343346	2,2,6,6-tetrafluoromorpholine
sc-251815A	2,2,6,6-Tetramethylpiperidine
sc-251815	2,2,6,6-Tetramethylpiperidine
sc-343346A	2,2,6,6-tetrafluoromorpholine
sc-343347	2,2,6,6-tetrafluoromorpholine hydrochloride

Catalog	Name
OR97831	4-bromo-3,5-dimethylthioanisole
OR1026256-01	6,6''-Dibromo-2,2':6',2''-Terpyridine
OR1062063-01	[2,2':6',2''-Terpyridine]-6,6''-dicarbonitrile
OR1074306-01	2,2':6',2'':6'',2'''-Quaterpyridine
FT00342-01	2,2,6,6-Tetramethylpiperidine
UAA15169-01	2,2,6,6-Tetramethylmorpholine
MBS5751785	2,2,6,6-Tetramethylpiperidinooxy
FT66889-01	2,2',6,6'-Tetramethylbenzophenone
OR1072848-01	[2,2':6',2''-Terpyridine]-6,6''-dicarboxylic acid
FM157041-01	6-Methyl-2,2':6',2''-terpyridine