Cas no 31230-83-8 (Benzothiazole, 2,3-dihydro-2-phenyl-)
31230-83-8 structure
Product Name:Benzothiazole, 2,3-dihydro-2-phenyl-
CAS No:31230-83-8
MF:C13H11NS
MW:213.298141717911
CID:1446097
PubChem ID:3003594
Update Time:2025-04-20
Benzothiazole, 2,3-dihydro-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole, 2,3-dihydro-2-phenyl-
- 2-phenyl-2,3-dihydro-1,3-benzothiazole
- 31230-83-8
- DTXSID80388257
- 2-Phenyl-2,3-dihydrobenzo[d]thiazole
- 2-phenylbenzo-thiazoline
- SCHEMBL434104
-
- Inchi： 1S/C13H11NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9,13-14H
- InChI Key： YKJUYTXCRIKRND-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2NC1C1C=CC=CC=1
Computed Properties
- Exact Mass: 213.06133
- Monoisotopic Mass: 213.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 12.03
Benzothiazole, 2,3-dihydro-2-phenyl- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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