2-Methyl-5- (methylthio) phenol

CAT: 0127-OR1080301Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1080301Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

106949-89-7

MDL Number

MFCD16998969

Smiles

C1 (c (ccc (c1) SC) C) O

Chemical Information

2-Methyl-5-(methylthio)phenol

CAS Number	106949-89-7
PubChem CID	70078955
IUPAC Name	2-methyl-5-methylsulfanylphenol
Molecular Formula	C8H10OS
Molecular Weight	154.23
XLogP	2.5
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=C(C=C1)SC)O

InChI

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

InChIKey

BZJZERCUFCETNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106949-89-7

CID: 70078955

Formula: C8H10OS

MW: 154.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.23
XLogP3	2.5
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
PC1017045-01	2-Fluoro-5-methyl-3- (methylthio) phenol
OR1092166	2-Methyl-4- (methylthio) phenol
OR1002591	3-[ (Methylthio) methyl]phenol
OR1096397-01	5-bromo-2- (methylthio) phenol
PC910228	5-Fluoro-2- (methylthio) phenol
PC1017191-01	4-Fluoro-3-methyl-5- (methylthio) phenol
OR350271-01	2- (Methylthio) phenol
OR912189-01	3-Methyl-4- (methylthio) phenol
OR1087707	2,5-Dichloro-4- (methylthio) phenol

Catalog	Name
JH609209	2- (Methylthio) phenol
TRC-M320860-10G	3-Methyl-4-(methylthio)phenol
sc-231844	3-Methyl-4- (methylthio) phenol
sc-493462	2- ({[3- (Methylthio) phenyl]amino}methyl) phenol
sc-493427	2- ({[4- (Methylthio) phenyl]amino}methyl) phenol
sc-493155	2- ((E) -{[3- (methylthio) phenyl]imino}methyl) phenol
sc-495127	2- ((E) -{[4- (methylthio) phenyl]imino}methyl) phenol
sc-494260	2-ethoxy-6- ({[4- (methylthio) benzyl]amino}methyl) phenol
sc-495272	4-bromo-2- ({[3- (methylthio) phenyl]amino}methyl) phenol
sc-492909	4-Chloro-2- ({[4- (methylthio) benzyl]amino}methyl) phenol