Cas no 183372-87-4 (Benzothiazole, 2,2'-dithiobis[5-methyl-)
183372-87-4 structure
Product Name:Benzothiazole, 2,2'-dithiobis[5-methyl-
CAS No:183372-87-4
MF:C16H12N2S4
MW:360.539877891541
CID:1377157
PubChem ID:14509501
Update Time:2025-04-20
Benzothiazole, 2,2'-dithiobis[5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-2-[(5-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
- SCHEMBL1772108
- 2,2'-Disulfanediylbis(5-methyl-1,3-benzothiazole)
- DTXSID80561109
- 183372-87-4
- Benzothiazole, 2,2'-dithiobis[5-methyl-
-
- Inchi： 1S/C16H12N2S4/c1-9-3-5-13-11(7-9)17-15(19-13)21-22-16-18-12-8-10(2)4-6-14(12)20-16/h3-8H,1-2H3
- InChI Key： HSKZOTUMQMYSNC-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=C(C)C=CC1=2)SSC1=NC2C=C(C)C=CC=2S1
Computed Properties
- Exact Mass: 359.98856
- Monoisotopic Mass: 359.98833309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 360
- 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: 6.3
- Topological Polar Surface Area: 133?2
Experimental Properties
- PSA: 25.78
Benzothiazole, 2,2'-dithiobis[5-methyl- Related Literature
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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