Basic information
- CAS
67963-03-5- Standard SMILES
Cc1ccc(S(=O)(=O)C2=CCCCC2)cc1- InChIKey
SVEVCORIQNDMCO-UHFFFAOYSA-N- Molecular formula
- C13H16O2S
- Average molar mass
- 236.33 g/mol
- Monoisotopic mass
- 236.08710092
Overview
See also: 1-Cyclohexenyl P-tolyl sulfone (annotation moved to).
Names & identifiers
- Preferred name
- 1-(Cyclohex-1-ene-1-sulfonyl)-4-methylbenzene
- IUPAC
- 1-(cyclohexen-1-ylsulfonyl)-4-methylbenzene
- English name
- 1-(cyclohexenylsulfonyl)-4-Methylbenzene
- Molecular formula
- C13H16O2S
- Molecular weight
- 236.33
Names & synonyms
67963-03-51-(cyclohex-1-ene-1-sulfonyl)-4-methylbenzene1-(cyclohexen-1-ylsulfonyl)-4-methylbenzene1-(cyclohexenylsulfonyl)-4-Methylbenzene1-(1-cyclohexen-1-ylsulfonyl)-4-methylBenzeneNSC403302SCHEMBL19318729DTXSID60323181AKOS024324590NSC-4033021-cyclohexen-1-yl 4-methylphenyl sulfone1-(1-cyclohexenylsulfonyl)-4-methylbenzene
Show more names
1-CYCLOHEXENYL P-TOLYL SULFONE1-(1-cyclohexene-1-sulfonyl) -4-methylbenzeneBenzene, 1-(1-cyclohexen-1-ylsulfonyl)-4-methyl-1- (Cyclohexene Sulfonyl group) -4-methylbenzene
DB-362657
Database identifiers
- CAS
67963-03-5- PubChem CID
- 345596
- DTXSID
DTXSID60323181- Nikkaji
- J1.823.323A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 82 · 82-83 °C(Solv: hexane (110-54-3))
- Boiling point
- 404.3 · 404.3±38.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers10 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海藜筠生物科技有限公司13119135307
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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