2,5-Dimethoxythiophenol

HCID 519009
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Basic information

CAS
1483-27-8
Standard SMILES
COc1ccc(OC)c(S)c1
InChIKey
SESUUAOAUZDHHP-UHFFFAOYSA-N
Molecular formula
C8H10O2S
Average molar mass
170.23 g/mol
Monoisotopic mass
170.04015073

Names & identifiers

Preferred name
2,5-Dimethoxythiophenol
IUPAC
2,5-dimethoxybenzenethiol
English name
2,5-DIMETHOXYTHIOPHENOL
Molecular formula
C8H10O2S
Molecular weight
170.23

Names & synonyms

2,5-Dimethoxythiophenol1483-27-8DTXSID30333873RefChem:82923DTXCID40284963626-652-1SESUUAOAUZDHHP-UHFFFAOYSA-N2,5-DimethoxybenzenethiolBenzenethiol, 2,5-dimethoxy-2,5-dimethoxybenzene-1-thiolMFCD000527383,6-dimethoxybenzenethiol
Show more names
DiMethoxythiophenol2,5-DIMETHOXYTHIOPHE2,5-DIMETHOXYTHIOPHENE2C5-DIMETHOXYTHIOPHENOL2,5-Dimethoxy thiophenyl2,5-Dimethoxybenzenethiol, 2,5-Dimethoxyphenyl mercaptan
2,5-Dimethoxybenzenethiol #2,5-Dimethoxythiophenol, 98%AKOS009158941CS-W0176972,5-Dimethoxybenzenethiol;FT-0610414DTXSID3033SCHEMBL440122

Database identifiers

CAS
1483-27-8
PubChem CID
519009
DTXSID
DTXSID30333873
EC Number
626-652-1
Nikkaji
J276.686H

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
19.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
248.3 · 248.3-252.0 °C (decomp)
Boiling point
88 · 88-90 °C/0.5 mmHg (lit.)
Density
1.134 g/mL · 1.134 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.5860(lit.)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (11.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90.9%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
2810
hs_code
2930909899
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses2,5-Dimethoxythiophenol is a thiophenol derivative used in the preparation of dihydrofolate reductase inhibitors and potential antitumor agents.

General DescriptionThe s-alkylation of 2,5-dimethoxythiophenol with pentyl bromide and heptyl bromide was studied.

Upstream & downstream products

Downstream products

Suppliers77 total

青岛白鲸进出口贸易有限公司+86-13854236000; +85295407470 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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