Basic information
- CAS
111510-96-4- Standard SMILES
CCCCc1ccc(C)s1- InChIKey
GVCKDFUWZSZTLQ-UHFFFAOYSA-N- Molecular formula
- C9H14S
- Average molar mass
- 154.27 g/mol
- Monoisotopic mass
- 154.08162162
Names & identifiers
- Preferred name
- 2-Butyl-5-methylthiophene
- IUPAC
- 2-butyl-5-methylthiophene
- English name
- 2-BUTYL-5-METHYLTHIOPHENE
- Molecular formula
- C9H14S
- Molecular weight
- 154.27
Names & synonyms
2-butyl-5-methylthiophene111510-96-4DTXSID30335978RefChem:258057DTXCID10287067GVCKDFUWZSZTLQ-UHFFFAOYSA-NMFCD000915662-n-Butyl-5-methylthiophene2-butyl-5-methyl thiophene2-butyl-5-methyl-thiopheneThiophene, 2-butyl-5-methylSCHEMBL9479555
Show more names
Thiophene, 2-butyl-5-methyl-
SCHEMBL9479561AKOS015914552DB-040982CS-0451179ST50824490
Database identifiers
- CAS
111510-96-4- PubChem CID
- 528246
- DTXSID
DTXSID30335978
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.7
Physicochemical properties
- Boiling point
- 200.6 · 200.6±9.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
- LogP
- 4.051 · 4.051 (est)
- CAS DataBase Reference
- 111510 · 111510-96-4
- Safety Statements
- 24 · 24/25
- PackingGroup
- III
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
- safety_code
- 24/25
- packing_group
- III
Chemistry & industry
Suppliers7 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
BOC Sciences[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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