Cas no 556801-67-3 (1,3-Propanediol, 1-(2-thienyl)-, (1S)-)
556801-67-3 structure
Product Name:1,3-Propanediol, 1-(2-thienyl)-, (1S)-
CAS No:556801-67-3
MF:C7H10O2S
MW:158.218101024628
CID:1594990
PubChem ID:18373071
Update Time:2025-04-21
1,3-Propanediol, 1-(2-thienyl)-, (1S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 1-(2-thienyl)-, (1S)-
- 1097730-66-9
- (S)-1-(2-Thienyl)-1,3-propanediol
- 556801-67-3
- DB-258954
- AM90636
- SCHEMBL3229012
- SY348525
- 1-(thiophen-2-yl)propane-1,3-diol
-
- Inchi： 1S/C7H10O2S/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,8-9H,3-4H2
- InChI Key： ONNSVHDTFXVFKP-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(CCO)O
Computed Properties
- Exact Mass: 158.0402
- Monoisotopic Mass: 158.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 97.6
- 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: 0.5
- Topological Polar Surface Area: 68.7?2
Experimental Properties
- PSA: 40.46
1,3-Propanediol, 1-(2-thienyl)-, (1S)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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