Cas no 88700-47-4 (1,2-Benzenedicarbothioic acid, S,S-bis(phenylmethyl) ester)
88700-47-4 structure
Product Name:1,2-Benzenedicarbothioic acid, S,S-bis(phenylmethyl) ester
CAS No:88700-47-4
MF:C22H18O2S2
MW:378.507123470306
CID:624009
PubChem ID:71319689
Update Time:2025-04-19
1,2-Benzenedicarbothioic acid, S,S-bis(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbothioic acid, S,S-bis(phenylmethyl) ester
- 1-S,2-S-dibenzyl benzene-1,2-dicarbothioate
- DTXSID50749694
- dithiophthalic acid S,S'-dibenzyl ester
- S~1~,S~2~-Dibenzyl benzene-1,2-dicarbothioate
- 88700-47-4
-
- Inchi： 1S/C22H18O2S2/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
- InChI Key： OHARWTMJVVNEBV-UHFFFAOYSA-N
- SMILES： S(C(C1=CC=CC=C1C(=O)SCC1C=CC=CC=1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 378.07482216g/mol
- Monoisotopic Mass: 378.07482216g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 8
- Complexity: 411
- 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: 5.7
- Topological Polar Surface Area: 84.7?2
1,2-Benzenedicarbothioic acid, S,S-bis(phenylmethyl) ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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