Cas no 64369-68-2 (2-Pyrrolidinecarbothioicacid, (2S)-)
64369-68-2 structure
Product Name:2-Pyrrolidinecarbothioicacid, (2S)-
CAS No:64369-68-2
MF:C5H9NOS
MW:131.196059942245
CID:517643
PubChem ID:15788381
Update Time:2025-04-19
2-Pyrrolidinecarbothioicacid, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarbothioicacid, (2S)-
- (S)-Pyrrolidine-1-carbothioic acid
- pyrrolidine-1-carbothioic S-acid
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- Inchi： 1S/C5H9NOS/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
- InChI Key： AFMIFWUUCHCHNN-BYPYZUCNSA-N
- SMILES： SC([C@@H]1CCCN1)=O
Computed Properties
- Exact Mass: 131.04048508g/mol
- Monoisotopic Mass: 131.04048508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 105
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 30.1?2
2-Pyrrolidinecarbothioicacid, (2S)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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