Cas no 16601-02-8 (Benzenesulfonothioicacid, 4-methyl-, S-(phenylmethyl) ester)
16601-02-8 structure
Product Name:Benzenesulfonothioicacid, 4-methyl-, S-(phenylmethyl) ester
CAS No:16601-02-8
MF:C14H14O2S2
MW:278.389761447906
CID:171080
PubChem ID:276623
Update Time:2025-04-19
Benzenesulfonothioicacid, 4-methyl-, S-(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonothioicacid, 4-methyl-, S-(phenylmethyl) ester
- 1-benzylsulfanylsulfonyl-4-methylbenzene
- [(4-methylphenyl)sulfonyl]benzylthio
- AC1L5K90
- AC1Q2LR8
- AC1Q6YEJ
- benzenesulfonothioic acid S-benzyl ester
- benzyl thiotosylate
- NSC124784
- SBB039991
- S-Benzyl 4-methylbenzenesulfonothioate
- S-benzyl 4-methylbenzenethiosulfonate
- toluene-4-thiosulfonic acid S-benzyl ester
- Toluol-4-thiosulfonsaeure-S-benzylester
- NSC-124784
- 16601-02-8
- SCHEMBL11607679
- AKOS000271212
- NCI60_000579
- SY342879
- NSC 124784
- 1-benzylsulfanylsulfonyl-4-methyl-benzene
- CHEMBL1995010
- BDBM50571178
- DTXSID90168062
- 1-[(benzylsulfanyl)sulfonyl]-4-methylbenzene
- S-BENZYL P-TOLUENETHIOSULFONATE
-
- Inchi： 1S/C14H14O2S2/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChI Key： AJHXMWXYVYOBQI-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)SCC1C=CC=CC=1
Computed Properties
- Exact Mass: 278.04362
- Monoisotopic Mass: 278.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 331
- 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: 3.5
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- Density: 1.253
- Boiling Point: 430.8°Cat760mmHg
- Flash Point: 214.4°C
- Refractive Index: 1.615
- PSA: 34.14
- LogP: 4.69790
Benzenesulfonothioicacid, 4-methyl-, S-(phenylmethyl) ester Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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