Basic information
- Standard SMILES
CCCCCC(=O)c1cccs1- InChIKey
CVDZQNUYYOLFOO-UHFFFAOYSA-N- Molecular formula
- C10H14OS
- Average molar mass
- 182.28 g/mol
- Monoisotopic mass
- 182.07653607
Names & identifiers
- Preferred name
- 2-Hexanoylthiophene
- IUPAC
- 1-thiophen-2-ylhexan-1-one
- English name
- 2-HEXANOYLTHIOPHENE
- Molecular formula
- C10H14OS
- Molecular weight
- 182.28
Names & synonyms
2-Hexanoylthiophene26447-67-6Ketone, pentyl 2-thienyl1-Hexanone, 1-(2-thienyl)-1-(2-Thienyl)-1-hexanoneThiophene, 2-hexanoylDTXSID60334297RefChem:87279DTXCID70285387CVDZQNUYYOLFOO-UHFFFAOYSA-N1-(thiophen-2-yl)hexan-1-one1-Thiophen-2-yl-hexan-1-one
Show more names
Pentyl(2-thienyl) ketone1-(2-Thienyl)hexane-1-one2-HEXANOYLTHIOPHENE ISO 9001：2015 REACH
1-thiophen-2-ylhexan-1-one1-(2-thienyl)hexan-1-one1-(thiophen-2-yl)-hexan-1-oneMFCD000531322-hexanoyl thiopheneSCHEMBL3192172SCHEMBL27593116SBB061352
Database identifiers
- CAS
26447-67-6- PubChem CID
- 520264
- DTXSID
DTXSID60334297- Nikkaji
- J47.710I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 117 · 117-119 °C(Press: 1 Torr)
- Density
- 1.065 g/cm3 · 1.065 g/cm3
Chemistry & industry
Suppliers5 total
北京东华力拓科技发展有限公司010-88425576 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
10 records
Linked notes
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