Basic information
- CAS
24588-72-5- Standard SMILES
COc1ccc(C2SCCCS2)cc1- InChIKey
INEZXIFHJBJBRB-UHFFFAOYSA-N- Molecular formula
- C11H14OS2
- Average molar mass
- 226.4 g/mol
- Monoisotopic mass
- 226.04860741
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-1,3-dithiane
- IUPAC
- 2-(4-methoxyphenyl)-1,3-dithiane
- English name
- 4-Methoxybenzaldehyde trimethylenedithioacetal
- Molecular formula
- C11H14OS2
- Molecular weight
- 226.36
Names & synonyms
2-(4-Methoxyphenyl)-1,3-dithiane24588-72-5m-DITHIANE, 2-(p-METHOXYPHENYL)-DTXSID50179331RefChem:1061267DTXCID801018222-(p-Methoxyphenyl)-m-dithiane1,3-Dithiane, 2-(4-methoxyphenyl)-MFCD017297814-Methoxybenzaldehyde trimethylenedithioacetalSCHEMBL13445402-p-Methoxyphenyl-1,3-dithiane
Show more names
AKOS0380652882-(4-Methoxyphenyl)-1,3-dithiane #BRN 12431502-(p-Methoxyphenyl)-5-19-02-00560 (Beilstein Handbook Reference)2-(4-Methoxyphenyl)-13-dithianeAS-86462SY454159
Database identifiers
- CAS
24588-72-5- PubChem CID
- 32504
- DTXSID
DTXSID50179331- Nikkaji
- J104.667E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 121 °C · 121 °C
- Boiling point
- 366.6 · 366.6±42.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- solubility
- soluble in Acetone
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934.99 · 2934.99.4400
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
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
郑州科豫隆化工产品有限公司17319789407 17319789407 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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