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Structure

Benzene,1-methyl-4-(methylsulfinyl)-

CAS
934-72-5
Catalog Number
ACM934725
Category
Other Products
Molecular Weight
154.23
Molecular Formula
C8H10OS

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Specification

Synonyms
Methyl p-methylphenylsulfoxide, Methyl p-tolyl sulfoxide, Methyl 4-methylphenylsulfoxide, 481858_ALDRICH, 1-methyl-4-methylsulfinylbenzene, MolPort-001-764-159, CID136743, NSC141186, OR25242, 934-72-5
IUPAC Name
1-methyl-4-methylsulfinylbenzene
Canonical SMILES
CC1=CC=C(C=C1)S(=O)C
InChI Key
FEVALTJSQBFLEU-UHFFFAOYSA-N
Boiling Point
113-114ºC2 mm Hg(lit.)
Melting Point
44-46ºC(lit.)
Flash Point
124.6ºC
Density
1.15g/cm³
Exact Mass
154.04500
H-Bond Acceptor
1
H-Bond Donor
0
WGK Germany
3
What is the molecular formula of Benzene, 1-methyl-4-(methylsulfinyl)?

The molecular formula is C8H10OS.

When was the structure of Benzene, 1-methyl-4-(methylsulfinyl) created?

The structure was created on 2005-03-26.

What is the molecular weight of Benzene, 1-methyl-4-(methylsulfinyl)?

The molecular weight is 154.23 g/mol.

What is the IUPAC name for Benzene, 1-methyl-4-(methylsulfinyl)?

The IUPAC name is 1-methyl-4-methylsulfinylbenzene.

What is the InChI of Benzene, 1-methyl-4-(methylsulfinyl)?

The InChI is InChI=1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3.

How many hydrogen bond acceptors does Benzene, 1-methyl-4-(methylsulfinyl) have?

It has 2 hydrogen bond acceptor counts.

What is the XLogP3-AA value for Benzene, 1-methyl-4-(methylsulfinyl)?

The XLogP3-AA value is 1.4.

What is the exact mass of Benzene, 1-methyl-4-(methylsulfinyl)?

The exact mass is 154.04523611 g/mol.

Does Benzene, 1-methyl-4-(methylsulfinyl) have any defined atom stereocenter count?

No, it has 0 defined atom stereocenter count.

Is Benzene, 1-methyl-4-(methylsulfinyl) a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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