Cas no 64036-75-5 (2(3H)-Benzothiazolethione,5-chloro-4-methyl-)
64036-75-5 structure
Product Name:2(3H)-Benzothiazolethione,5-chloro-4-methyl-
CAS No:64036-75-5
MF:C8H6ClNS2
MW:215.72293806076
CID:500119
Update Time:2024-01-30
2(3H)-Benzothiazolethione,5-chloro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzothiazolethione,5-chloro-4-methyl-
- 2(3H)-Benzothiazolethione,5-chloro-4-methyl-(9CI)
- 2(3H)-Benzothiazolethione, 5-chloro-4-methyl-
-
- Inchi： 1S/C8H6ClNS2/c1-4-5(9)2-3-6-7(4)10-8(11)12-6/h2-3H,1H3,(H,10,11)
- InChI Key： IYMPTYUTVSLSES-UHFFFAOYSA-N
- SMILES： S1C2=CC=C(Cl)C(C)=C2NC1=S
Computed Properties
- Exact Mass: 214.96318
- Monoisotopic Mass: 214.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 209
- 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
- Topological Polar Surface Area: 69.4A^2
Experimental Properties
- PSA: 12.03
2(3H)-Benzothiazolethione,5-chloro-4-methyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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