2-Methyl-4- (methylthio) phenol

CAT: 0127-OR1092166Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1092166Size:250 mg

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CAS Number

3795-76-4

MDL Number

MFCD00087103

Purity

97%

Smiles

C1c (cc (c (c1) O) C) SC

Chemical Information

2-Methyl-4-(methylsulfanyl)phenol

CAS Number	3795-76-4
PubChem CID	138054
IUPAC Name	2-methyl-4-methylsulfanylphenol
Molecular Formula	C8H10OS
Molecular Weight	154.23
XLogP	1.8
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=C(C=CC(=C1)SC)O

InChI

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

InChIKey

DXLSPFDSUIZAON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3795-76-4

CID: 138054

Formula: C8H10OS

MW: 154.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.23
XLogP3	1.8
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

Catalog	Name
OR1092432-01	2-[ (Methylthio) methyl]phenol
OR912189-01	3-Methyl-4- (methylthio) phenol
PC1017210-01	3-Fluoro-4-methyl-2- (methylthio) phenol
OR1080301	2-Methyl-5- (methylthio) phenol
OR1002591	3-[ (Methylthio) methyl]phenol
OR0778-01	4- (Methylthio) phenol
PC1022261-01	4-Fluoro-2- (methylthio) phenol
OR1097623-01	4-Chloro-2- (methylthio) phenol
OR1096990-01	4-Methoxy-2- (methylthio) phenol
PC1023632-01	2-Fluoro-4- (methylthio) phenol

Catalog	Name
TRC-M320860-10G	3-Methyl-4-(methylthio)phenol
sc-231844	3-Methyl-4- (methylthio) phenol
sc-493427	2- ({[4- (Methylthio) phenyl]amino}methyl) phenol
sc-495127	2- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
sc-492909	4-Chloro-2- ({[4- (methylthio) benzyl]amino}methyl) phenol
sc-495288	4-bromo-2- ({[4- (methylthio) phenyl]amino}methyl) phenol
JH609209	2- (Methylthio) phenol
sc-493512	4-chloro-2- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
sc-494837	4-Bromo-2- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
sc-493853	4-chloro-2- ((E) -{[4- (methylthio) benzyl]imino}methyl) phenol