Basic information
- CAS
141699-66-3- Standard SMILES
CC(=O)SC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
SJAKIGKVIJINMY-UHFFFAOYSA-N- Molecular formula
- C12H21NO3S
- Average molar mass
- 259.37 g/mol
- Monoisotopic mass
- 259.12421453
Names & identifiers
- Preferred name
- tert-Butyl 4-(acetylthio)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-acetylsulfanylpiperidine-1-carboxylate
- English name
- 1-Piperidinecarboxylic acid, 4-(acetylthio)-, 1,1-diMethylethyl ester
- Molecular formula
- C12H21NO3S
- Molecular weight
- 259.36
Names & synonyms
141699-66-3tert-Butyl 4-(acetylthio)piperidine-1-carboxylatetert-Butyl 4-(acetylsulfanyl)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-(acetylthio)-, 1,1-dimethylethyl estertert-butyl 4-acetylsulfanylpiperidine-1-carboxylateMFCD131835801-tert-butyloxycarbonyl-4-(acetylsulfanyl)piperidineN-t-butyloxycarbonyl-4-acetylthiopiperidineSCHEMBL56417SJAKIGKVIJINMY-UHFFFAOYSA-NDTXSID601201532RFA69966
Show more names
1-Piperidinecarboxylic acid, 4-(acetylthio)-, 1,1-dimethylet...1-Piperidinecarboxylic acid, 4-(acetylthio)-, 1,1-diMethylethyl este
AKOS005266314CS-W001729AS-72619DB-312393EN300-129616F184284-(acetylthio)-1-(tert-butoxycarbonyl)piperdinetert-Butyl4-(acetylthio)piperidine-1-carboxylate
Database identifiers
- CAS
141699-66-3- PubChem CID
- 22494773
- DTXSID
DTXSID601201532
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- yellow liquid to solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers21 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
斯芬克司药物研发（天津）股份有限公司022-66211289-843 13672102692 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海鑫科泰生物科技有限公司18043446684 · [email protected]
德州博腾精细化工有限公司[email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
42 records
Compound notes
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