Cas no 51290-80-3 (S-(2-benzoylsulfanylethyl) Benzenecarbothioate)
51290-80-3 structure
Product Name:S-(2-benzoylsulfanylethyl) Benzenecarbothioate
CAS No:51290-80-3
MF:C16H14O2S2
MW:302.411161899567
CID:935117
PubChem ID:303470
Update Time:2025-04-19
S-(2-benzoylsulfanylethyl) Benzenecarbothioate Chemical and Physical Properties
Names and Identifiers
-
- S-(2-benzoylsulfanylethyl) Benzenecarbothioate
- 1,2-bis-benzoylmercapto-ethane; Bis-monothiobenzoesaeure-S.S-aethylenester; S,S'-ethane-1,2-diyl dibenzenecarbothioate; S,S'-ethane-1,2-diyl dibenzothioate; 1,2-Bis-benzoylmercapto-aethan; CTK1H0316; 2-benzoylsulfanylethylsulfanyl-phenyl-methanone; 1,2-Bis-benzoylmercapto-ethan; NSC191855; ethylene glycol dithiobenzoate; AC1L72SX;
- NSC-191855
- NSC191855
- DTXSID80307509
- SCHEMBL16047247
- 51290-80-3
-
- Inchi： 1S/C16H14O2S2/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
- InChI Key： ZZGHXMOIAXIJQA-UHFFFAOYSA-N
- SMILES： S(C(C1C=CC=CC=1)=O)CCSC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 302.044
- Monoisotopic Mass: 302.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 286
- 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: 4.4
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- Density: 1.253
- Boiling Point: 424.1°C at 760 mmHg
- Flash Point: 178.8°C
- Refractive Index: 1.635
S-(2-benzoylsulfanylethyl) Benzenecarbothioate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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