Cas no 105917-74-6 (Benzoic acid, 2,3-dichloro-4-(methylthio)-)
105917-74-6 structure
Product Name:Benzoic acid, 2,3-dichloro-4-(methylthio)-
CAS No:105917-74-6
MF:C8H6Cl2O2S
MW:237.103039264679
CID:1162421
PubChem ID:14745482
Update Time:2025-04-20
Benzoic acid, 2,3-dichloro-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3-dichloro-4-(methylthio)-
- 105917-74-6
- 2,3-Dichloro-4-(methylthio)benZoic acid
- MFCD34779669
-
- Inchi： 1S/C8H6Cl2O2S/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H,11,12)
- InChI Key： LHDQVHWRDCUBGQ-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1C(=O)O)SC)Cl
Computed Properties
- Exact Mass: 235.94668
- Monoisotopic Mass: 235.9465560g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 3.2
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 2,3-dichloro-4-(methylthio)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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