Cas no 17583-11-8 (7(4H)-Benzothiazolone, 5,6-dihydro-2-(methylamino)-)
17583-11-8 structure
Product Name:7(4H)-Benzothiazolone, 5,6-dihydro-2-(methylamino)-
CAS No:17583-11-8
MF:C8H10N2OS
MW:182.242800235748
CID:1362218
PubChem ID:3427490
Update Time:2025-04-20
7(4H)-Benzothiazolone, 5,6-dihydro-2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 7(4H)-Benzothiazolone, 5,6-dihydro-2-(methylamino)-
- SCHEMBL2854104
- 17583-11-8
- DTXSID401233278
- Oprea1_557332
- 5,6-Dihydro-2-(methylamino)-7(4H)-benzothiazolone
- Z57234324
- 2-Methylamino-5,6-dihydro-4H-benzothiazol-7-one
- SPGUUQZLLMCVHP-UHFFFAOYSA-N
-
- Inchi： 1S/C8H10N2OS/c1-9-8-10-5-3-2-4-6(11)7(5)12-8/h2-4H2,1H3,(H,9,10)
- InChI Key： SPGUUQZLLMCVHP-UHFFFAOYSA-N
- SMILES： S1C(NC)=NC2=C1C(CCC2)=O
Computed Properties
- Exact Mass: 182.0515
- Monoisotopic Mass: 182.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 198
- 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: 1.7
- Topological Polar Surface Area: 70.2?2
Experimental Properties
- PSA: 41.99
7(4H)-Benzothiazolone, 5,6-dihydro-2-(methylamino)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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