3-Methoxythioanisole

HCID 281182

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2388-74-1
Standard SMILES: COc1cccc(SC)c1
InChIKey: IWVQVOXDIOKVBE-UHFFFAOYSA-N
Molecular formula: C8H10OS
Average molar mass: 154.23 g/mol
Monoisotopic mass: 154.04523594

Names & identifiers

Preferred name: 3-Methoxythioanisole
IUPAC: 1-methoxy-3-methylsulfanylbenzene
English name: 3-Methoxy thioanisole
Molecular formula: C8H10OS
Molecular weight: 154.23

Names & synonyms

3-Methoxythioanisole2388-74-1DTXSID60299933RefChem:503310DTXCID30251068673-603-5Anisole, m-(methylthio)-Benzene, 1-methoxy-3-(methylthio)-1-methoxy-3-methylsulfanylbenzene1-methoxy-3-methylsulfanyl-benzene1-Methoxy-3-(methylsulfanyl)benzeneMFCD03789162

Show more names

3-METHOXY THIOANISOL3-Methoxythioanisole>3-METHOXY THIOANISOLE 99%MIN1-Methylthio-3-methoxybenzeneMethyl 3-methoxyphenyl sulfide1-Methoxy-3-(methylthio)benzene1-(Methylthio)-3-methoxybenzene3-methoxythiobenzenemethylether

3-methoxy thioanisole1-Methoxy-3-methylthiobenzene(3-methoxyphenyl)(methyl)sulfaneNSC133794NSC-133794SCHEMBL11455313-Methoxythiophenol, S-methyl-1-methylsulfanyl-3-methoxybenzene

Database identifiers

CAS: 2388-74-1
PubChem CID: 281182
DTXSID: DTXSID60299933
UNII: 42GZ952C3G
EC Number: 673-603-5
Nikkaji: J100.176K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Boiling point: 127 °C · 127 °C / 18mmHg
Density: 1.12 · 1.12
refractive index: 1.582 to · 1.5820 to 1.5860
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 2388 · 2388-74-1(CAS DataBase Reference)
FDA UNII: 42 GZ952C3G · 42GZ952C3G
NIST Chemistry Reference: 1 · Benzene, 1-methoxy-3-(methylthio)-(2388-74-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
HazardClass: IRRITANT, STENCH
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2930909899
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT, STENCH
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362