Cas no 102658-03-7 (2-dodecyl-1,2-benzothiazol-3-one)
102658-03-7 structure
Product Name:2-dodecyl-1,2-benzothiazol-3-one
CAS No:102658-03-7
MF:C19H29NOS
MW:319.504664182663
CID:1133164
PubChem ID:15818620
Update Time:2025-04-20
2-dodecyl-1,2-benzothiazol-3-one Chemical and Physical Properties
Names and Identifiers
-
- 2-dodecyl-1,2-benzothiazol-3-one
- ACMC-20m5my
- 2-n-dodecylbenzisothiazol-3(2H)-one
- 2-dodecyl-1,2-benzisothiazol-3-one
- CTK0D8946
- 1,2-Benzisothiazol-3(2H)-one, 2-dodecyl-
- SureCN8621594
- 2-dodecyl-1,2-benzisothiazolone
- ACMC-20m5my; 2-n-dodecylbenzisothiazol-3(2H)-one; 2-dodecyl-1,2-benzisothiazol-3-one; CTK0D8946; 1,2-Benzisothiazol-3(2H)-one, 2-dodecyl-; SureCN8621594; 2-dodecyl-1,2-benzisothiazolone;
- DTXSID50578582
- CHEMBL3925521
- 2-Dodecylbenzo[d]isothiazol-3(2H)-one
- 2-Dodecyl-1,2-benzothiazol-3(2H)-one
- 102658-03-7
- SCHEMBL8621594
-
- Inchi： 1S/C19H29NOS/c1-2-3-4-5-6-7-8-9-10-13-16-20-19(21)17-14-11-12-15-18(17)22-20/h11-12,14-15H,2-10,13,16H2,1H3
- InChI Key： FKCTXTZVXHJVNT-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N1CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 319.19717
- Monoisotopic Mass: 319.19698572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 321
- 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: 7
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- PSA: 20.31
2-dodecyl-1,2-benzothiazol-3-one Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
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
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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