Cas no 62167-00-4 (Benzeneethanethioic acid)
Benzeneethanethioic acid structure
Product Name:Benzeneethanethioic acid
Benzeneethanethioic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanethioic acid
- 2-phenylethanethioic S-acid
- PHENYLTHIOACETIC ACID
- DL-2-phenylthioacetic acid
- benzylthiocarboxylic acid
- [O]C(=S)Cc1ccccc1
- 62167-00-4
- AKOS006324069
- DTXSID60274487
- 2-phenylthioacetic acid
- IXOFPUCWZCAFJX-UHFFFAOYSA-N
- SCHEMBL698265
-
- Inchi： 1S/C8H8OS/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
- InChI Key： IXOFPUCWZCAFJX-UHFFFAOYSA-N
- SMILES： SC(CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 152.02964
- Monoisotopic Mass: 152.02958605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 18.1
Experimental Properties
- PSA: 20.23
Benzeneethanethioic acid Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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