Basic information
- CAS
4861-61-4- Standard SMILES
CCCCCCCCCCCCc1cccs1- InChIKey
NJPMFDNZCLKTHE-UHFFFAOYSA-N- Molecular formula
- C16H28S
- Average molar mass
- 252.5 g/mol
- Monoisotopic mass
- 252.1911719
Names & identifiers
- Preferred name
- 2-Dodecylthiophene
- IUPAC
- 2-dodecylthiophene
- English name
- 2-dodecylthiophene
- Molecular formula
- C16H28S
- Molecular weight
- 252.46
Names & synonyms
2-Dodecylthiophene4861-61-4dodecylthiopheneMFCD22493346Thiophene, 2-dodecyl-2-n-dodecylthiophene2-Dodecylthiophene #SCHEMBL27348SCHEMBL27868029DTXSID10340661SY234606DB-251452
Show more names
CS-0378205D4874
Database identifiers
- CAS
4861-61-4- PubChem CID
- 566347
- DTXSID
DTXSID10340661- Nikkaji
- J103.520G
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- -0.15 °C · -0.15°C (estimate)
- Boiling point
- 155 °C/2mmHg · 155°C/2mmHg(lit.)
- Density
- 0.9125 · 0.9125 (estimate)
- refractive index
- 1.485 to · 1.4850 to 1.4890
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- HS Code
- 2934.99 · 2934.99.9001
Safety & regulation
Safety data
- hs_code
- 2934.99.9001
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
郑州德元凯化工有限公司17837139533 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Related reactions
13 records
Compound notes
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