Cas no 13330-93-3 (Benzeneaceticacid, a-[(carboxymethyl)thio]-)
![Benzeneaceticacid, a-[(carboxymethyl)thio]- structure](https://ossimg.kuujia.com/scimg/13500/13330-93-3x500.png)
13330-93-3 structure
Product Name:Benzeneaceticacid, a-[(carboxymethyl)thio]-
CAS No:13330-93-3
MF:C10H10O4S
MW:226.249001979828
CID:235053
PubChem ID:269299
Update Time:2025-04-19
Benzeneaceticacid, a-[(carboxymethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneaceticacid, a-[(carboxymethyl)thio]-
- [(carboxymethyl)sulfanyl](phenyl)acetic acid
- 2-(carboxymethylsulfanyl)-2-phenyl-acetic acid
- Benzeneaceticacid,a-[(carboxymethyl)thio]-
- DTXSID40296581
- 2-(carboxymethylsulfanyl)-2-phenylacetic acid
- NSC109959
- 13330-93-3
- NSC-109959
-
- Inchi： 1S/C10H10O4S/c11-8(12)6-15-9(10(13)14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)(H,13,14)
- InChI Key： AIUNWFBYULOSRS-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)C(C(=O)O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 226.02997997g/mol
- Monoisotopic Mass: 226.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 236
- 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: 1.8
- Topological Polar Surface Area: 99.9?2
Benzeneaceticacid, a-[(carboxymethyl)thio]- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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