3-Methoxythiophenol

CAT: 0127-OR0120-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR0120-01Size:25 g

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CAS Number

15570-12-4

Synonyms

3-Methoxybenzenethiol, 3-Mercaptoanisole

MDL Number

MFCD00004841

Purity

98%

Smiles

COc1cccc(S)c1

Storage Conditions

Store at 2-8°C

Chemical Information

3-Methoxybenzenethiol

CAS Number	15570-12-4
PubChem CID	84989
IUPAC Name	3-methoxybenzenethiol
Molecular Formula	C7H8OS
Molecular Weight	140.20
XLogP	2.5
Topological Polar Surface Area	10.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

COC1=CC(=CC=C1)S

InChI

InChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3

InChIKey

QMVAZEHZOPDGHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15570-12-4

CID: 84989

Formula: C7H8OS

MW: 140.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.20
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	140.02958605
Monoisotopic Mass	140.02958605
Topological Polar Surface Area	10.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
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
PC902760-01	3-Fluoro-4-methoxythiophenol
OR71139	3-Hydroxy-4-methoxythiophenol
OR4848-01	2-Methoxythiophenol
OR0774	4-Methoxythiophenol
OR6628-01	3-Methoxythiophene
OR200023	3-Amino-2-methoxythiophene
OR1054425	2-Methoxythiophene-3-carbaldehyde
OR110579-01	2- (Hydroxymethyl) -3-methoxythiophene
OR16550	2- (Aminomethyl) -3-methoxythiophene
OR103362	3-Methoxythiophene-2-carboxaldehyde

Catalog	Name
sc-231816	3-Methoxythiophenol
231892-01	3-Fluoro-4-methoxythiophenol
sc-322539	3-Fluoro-6-methoxythiophenol
FM36232-01	4-Methoxythiophenol
abx183232-01	2-Methoxythiophenol
sc-335866	3,5-Dimethyl-4-methoxythiophenol
415288-01	2-Amino-5-methoxythiophenol
IYB07778-01	2-Fluoro-6-methoxythiophenol
TRC-A627990-1G	2-Amino-5-methoxythiophenol (>90%)
NU-456L	3',3',3'-cAAG