Cas no 61997-99-7 (1-Piperidinecarbodithioic acid, (2-oxocyclohexyl)methyl ester)
61997-99-7 structure
Product Name:1-Piperidinecarbodithioic acid, (2-oxocyclohexyl)methyl ester
CAS No:61997-99-7
MF:C13H21NOS2
MW:271.441941022873
CID:461215
PubChem ID:53818453
Update Time:2025-04-19
1-Piperidinecarbodithioic acid, (2-oxocyclohexyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperidinecarbodithioic acid, (2-oxocyclohexyl)methyl ester
- (2-oxocyclohexyl)methyl piperidine-1-carbodithioate
- SCHEMBL11608682
- DTXSID70706901
- 61997-99-7
-
- Inchi： 1S/C13H21NOS2/c15-12-7-3-2-6-11(12)10-17-13(16)14-8-4-1-5-9-14/h11H,1-10H2
- InChI Key： FUAWUWDLGHZZSS-UHFFFAOYSA-N
- SMILES： S(C(N1CCCCC1)=S)CC1C(CCCC1)=O
Computed Properties
- Exact Mass: 271.10663
- Monoisotopic Mass: 271.10645664g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 287
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 77.7?2
Experimental Properties
- PSA: 20.31
1-Piperidinecarbodithioic acid, (2-oxocyclohexyl)methyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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