Basic information
- CAS
22693-41-0- Standard SMILES
CC(C)c1cc(C(C)C)c(S)c(C(C)C)c1- InChIKey
QLPCAAJSEQIZOP-UHFFFAOYSA-N- Molecular formula
- C15H24S
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.15987194
Names & identifiers
- Preferred name
- 2,4,6-Triisopropylbenzenethiol
- IUPAC
- 2,4,6-tri(propan-2-yl)benzenethiol
- English name
- Benzenethiol, 2,4,6-tris(1-methylethyl)-
- Molecular formula
- C15H24S
- Molecular weight
- 236.42
Names & synonyms
2,4,6-Triisopropylbenzenethiol22693-41-02,4,6-tris(propan-2-yl)benzene-1-thiol2,4,6-TriisopropylthiophenolMFCD120262272,4,6-tri(propan-2-yl)benzenethiolBenzenethiol, 2,4,6-tris(1-methylethyl)-SCHEMBL8781142,4,6-Triisopropylbenzenethiol #BS-52859SY301438F71377
Show more names
F864428
Database identifiers
- CAS
22693-41-0- PubChem CID
- 613579
- EC Number
- 195-987-9
- Nikkaji
- J1.030.439C
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 81 °C · 81 °C(Press: 0.2 Torr)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 7.11 · 7.11±0.50(Predicted)
- Appearance
- Colorless to off-white Liquid
- InChI
- InChI=1S/C15H24S/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,16H,1-6H3
- InChIKey
- QLPCAAJSEQIZOP-UHFFFAOYSA-N
- SMILES
- C1(S)=C(C(C)C)C=C(C(C)C)C=C1C(C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers32 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
苏州启航生物科技有限公司18151111370
Weifang Wehibest Supply Chain Co.,Ltd+undefined13583620690 · [email protected]
Related reactions
1 records
Compound notes
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