Cas no 1424-52-8 (Benzenesulfonyl isothiocyanate, 4-methyl-)
1424-52-8 structure
Product Name:Benzenesulfonyl isothiocyanate, 4-methyl-
CAS No:1424-52-8
MF:C8H7NO2S2
MW:213.27667927742
CID:1311235
PubChem ID:4738534
Update Time:2025-04-20
Benzenesulfonyl isothiocyanate, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl isothiocyanate, 4-methyl-
- 4-methyl-N-(sulfanylidenemethylidene)benzenesulfonamide
- DTXSID00406225
- 1424-52-8
- SCHEMBL6990064
- 4-methylbenzenesulfonyl isothiocyanate
- AKOS002664390
-
- Inchi： 1S/C8H7NO2S2/c1-7-2-4-8(5-3-7)13(10,11)9-6-12/h2-5H,1H3
- InChI Key： MCFSCNLXHWWPOD-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N=C=S)(=O)=O
Computed Properties
- Exact Mass: 212.99191
- Monoisotopic Mass: 212.99182081g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 304
- 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: 3.3
- Topological Polar Surface Area: 87?2
Experimental Properties
- PSA: 46.5
Benzenesulfonyl isothiocyanate, 4-methyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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