Basic information
- Standard SMILES
CS(=O)(=O)OCCCCCOS(C)(=O)=O- InChIKey
QTNVULGCBFTXBM-UHFFFAOYSA-N- Molecular formula
- C7H16O6S2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.03883057
Names & identifiers
- Preferred name
- 1,5-Pentanediol, 1,5-dimethanesulfonate
- IUPAC
- 5-methylsulfonyloxypentyl methanesulfonate
- English name
- 1,5-Pentanediol bis(methanesulfonate)
- Molecular formula
- C7H16O6S2
- Molecular weight
- 260.33
Names & synonyms
2374-22-31,5-PENTANEDIOL, DIMETHANESULFONATEDTXSID00178410RefChem:1053474DTXCID301009011,5-Pentanediol, 1,5-dimethanesulfonate1,5-Dimesyloxypentane1,5-Pentanediol dimethanesulfonate5-methylsulfonyloxypentyl methanesulfonateNSC 170191,5-Pentanediol bis(methanesulfonate)pentane-1,5-diyl dimethanesulfonate
Show more names
1,5-Pentanediol bismethanesulfonate1,5-Pentanediol di(methanesulfonate)Bismethanesulfonic acid 1,5-pentanediylBis(methanesulfonic acid)pentamethylene ester
BRN 1794833AI3-519051,5-dimethanesulfonyloxypentaneSCHEMBL13354771,5-bis(methanesulfonyloxy)pentane1,5-Pentanediol dimethanesulphonateNSC17019NSC-17019
Database identifiers
- CAS
2374-22-3- PubChem CID
- 16920
- DTXSID
DTXSID00178410- Nikkaji
- J49.933A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 35 · 35-36 °C(Solv: ethanol (64-17-5))
- Boiling point
- 468.5 · 468.5±28.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
苏州启航生物科技有限公司18151111370
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海芮珊医药科技有限公司02150565560; 17321237488 · [email protected]
中科品晟（大连）新材料有限公司18841123239 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Linked notes
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