Basic information
- CAS
29488-27-5- Standard SMILES
CC(C)c1ccsc1- InChIKey
LJPDBPCGTFTUDE-UHFFFAOYSA-N- Molecular formula
- C7H10S
- Average molar mass
- 126.22 g/mol
- Monoisotopic mass
- 126.05032149
Names & identifiers
- Preferred name
- Thiophene, 3-(1-methylethyl)-
- IUPAC
- 3-propan-2-ylthiophene
- English name
- Thiophene, 3-(1-methylethyl)-
- Molecular formula
- C7H10S
- Molecular weight
- 126.22
Names & synonyms
Thiophene, 3-(1-methylethyl)-29488-27-5DTXSID70334349RefChem:385261DTXCID80285439LJPDBPCGTFTUDE-UHFFFAOYSA-N3-propan-2-ylthiophene3-(propan-2-yl)thiophene3-ISOPROPYLTHIOPHENESCHEMBL79539SCHEMBL126015SCHEMBL3220577
Show more names
SCHEMBL3250391SCHEMBL5002209SCHEMBL17103266AKOS006373007
Database identifiers
- CAS
29488-27-5- PubChem CID
- 520437
- DTXSID
DTXSID70334349- Nikkaji
- J645.542E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.8
Physicochemical properties
- Boiling point
- 153 · 153-156 °C
- Density
- 0.975 g/cm3 · 0.9750 g/cm3
- Henry's Law Constant
- 1.1 · 1.1×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Chemistry & industry
Suppliers6 total
上海华思格医药科技有限公司13611612777 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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