Basic information
- CAS
29236-93-9- Standard SMILES
CCOc1ccc(OCC)c(S)c1- InChIKey
JUAWFBZRMQIAID-UHFFFAOYSA-N- Molecular formula
- C10H14O2S
- Average molar mass
- 198.28 g/mol
- Monoisotopic mass
- 198.07145086
Names & identifiers
- Preferred name
- 2,5-Diethoxythiophenol
- IUPAC
- 2,5-diethoxybenzenethiol
- English name
- 2,5-DIETHOXYTHIOPHENOL
- Molecular formula
- C10H14O2S
- Molecular weight
- 198.28
Names & synonyms
2,5-Diethoxythiophenol29236-93-92,5-diethoxybenzenethiol2,5-Diethoxy thiophenol2,5-diethoxybenzene-1-thiolMFCD03094659Benzenethiol, 2,5-diethoxy-Benzenethiol,2,5-diethoxy-25-DIETHOXYTHIOPHENOLSCHEMBL28540946DTXSID90371130JUAWFBZRMQIAID-UHFFFAOYSA-N
Show more names
2,5-DIETHOXYTHIOPHEN2,5-Dietoxy thiophenol2,5-DIETHOXY THIOPHENOL 98%MIN2,5-Diethoxybenzenethiol, 2,5-Diethoxyphenyl mercaptan
SBB058940AKOS006228009PS-5206AC-11512DB-020064CS-0206877ST51043281
Database identifiers
- CAS
29236-93-9- PubChem CID
- 2736104
- DTXSID
DTXSID90371130
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 19.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 115 °C · 115 °C(Press: 0.3 Torr)
- Density
- 1.1171 g/cm3 · 1.1171 g/cm3
- pka
- 6.44 · 6.44±0.48(Predicted)
- CAS DataBase Reference
- 29236 · 29236-93-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers25 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
武汉格润康捷医药科技有限公司15608630565 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
浙江寿尔福化工贸易有限公司0571-88906230 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖南永齐化工有限公司0731-85561035 13319583233 · [email protected]
广州远达新材料有限公司19849939632 19849939632 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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