Basic information
- CAS
14947-51-4- Standard SMILES
C1CSC(CC2SCCCS2)SC1- InChIKey
DCJKPLNHQJEQOL-UHFFFAOYSA-N- Molecular formula
- C9H16S4
- Average molar mass
- 252.5 g/mol
- Monoisotopic mass
- 252.0134852
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(1,3-dithiane)
- IUPAC
- 2-(1,3-dithian-2-ylmethyl)-1,3-dithiane
- English name
- Bis(1,3-dithian-2-yl)methane
- Molecular formula
- C9H16S4
- Molecular weight
- 252.48
Names & synonyms
14947-51-4DTXSID702997822,2'-Methylenebis(1,3-dithiane)RefChem:242289DTXCID50250917Bis(1,3-dithian-2-yl)methane2-(1,3-dithian-2-ylmethyl)-1,3-dithiane1,3-Dithiane,2,2'-methylenebis-NSC132850AKOS024331659NSC-132850DB-264531
Show more names
NSC 1328502,2'-Methylenebis-m-dithiane2,2'-Methylenebis-1,3-dithiane1,3-Dithiane, 2,2'-methylenebis-
Database identifiers
- CAS
14947-51-4- PubChem CID
- 280722
- DTXSID
DTXSID70299782- Nikkaji
- J1.991.553K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Melting point
- 112 · 112-113°C
- Boiling point
- 403.6 · 403.6±40.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- White
Chemistry & industry
Suppliers7 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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