M-Cresol, 6- (methylthio) -

CAT: 0931-T33232-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T33232-01Size:100 mg

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CAS Number

23385-54-8

Target

Others

Related Pathways

Others

Bioactivity

M-Cresol, 6- (methylthio) - is a bioactive chemical.

Smiles

OC1=CC(=CC=C1SC)C

Molecular Formula

C8H10OS

Molecular Weight

154.23

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

m-Cresol, 6-(methylthio)-

CAS Number	23385-54-8
PubChem CID	31892
IUPAC Name	5-methyl-2-methylsulfanylphenol
Molecular Formula	C8H10OS
Molecular Weight	154.23
XLogP	2.2
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

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

InChI

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

InChIKey

ICXVIPDBYKKWPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23385-54-8

CID: 31892

Formula: C8H10OS

MW: 154.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	154.23
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	154.04523611
Monoisotopic Mass	154.04523611
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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

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Catalog	Name
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T33234-01	M-Cresol, 6-decyl-
T33237-01	M-Cresol, 6-octyl-
T33238-01	M-Cresol, 6-propyl-
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T33229-01	M-Cresol thiocyanate

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Catalog	Name
GTR19223178-01	M-Cresol, 6- (methylthio) -
MBS5782791	m-Cresol, 6-(methylthio)-
283401-01	4- (Methylthio) -m-cresol
OR1082532-01	3- (methylthio) -1- (m-tolyl) propan-1-ol
CS-O-05550	M-Cresol
027820-01	M -Cresol
MBS5782788	m-Cresol thiocyanate
C26130	M-Cresol 99%
C26220-01	M-Cresol Purple
D06470-01	Diamyl-m-cresol

M-Cresol, 6- (methylthio) -

Chemical Information

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