Cas no 135467-92-4 (2-Pyrrolidinecarbodithioicacid, (2S)-)
135467-92-4 structure
Product Name:2-Pyrrolidinecarbodithioicacid, (2S)-
CAS No:135467-92-4
MF:C5H9NS2
MW:147.261658430099
CID:162745
PubChem ID:105009
Update Time:2025-04-19
2-Pyrrolidinecarbodithioicacid, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarbodithioicacid, (2S)-
- (2S)-pyrrolidine-2-carbodithioic acid
- prolinedithiocarbamate
- PDTC
- Pyrrolidinecarbodithioic acid, (S)-
- 135467-92-4
- CHEMBL414426
- DTXSID50929015
- pyrrolidine-2-carbodithioic acid
-
- Inchi： 1S/C5H9NS2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
- InChI Key： NOQMBGVHFWMDIE-BYPYZUCNSA-N
- SMILES： SC([C@@H]1CCCN1)=S
Computed Properties
- Exact Mass: 147.01777
- Monoisotopic Mass: 147.01764164g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 103
- 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: 1
- Topological Polar Surface Area: 45.1?2
Experimental Properties
- PSA: 12.03
2-Pyrrolidinecarbodithioicacid, (2S)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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