Cas no 182678-13-3 (2(3H)-Benzothiazolethione,6-propyl-)
182678-13-3 structure
Product Name:2(3H)-Benzothiazolethione,6-propyl-
CAS No:182678-13-3
MF:C10H11NS2
MW:209.33103966713
CID:113904
PubChem ID:10750924
Update Time:2025-04-18
2(3H)-Benzothiazolethione,6-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzothiazolethione,6-propyl-
- 2(3H)-Benzothiazolethione,6-propyl-(9CI)
- 6-propyl-3H-1,3-benzothiazole-2-thione
- 182678-13-3
- SCHEMBL9016291
-
- Inchi： 1S/C10H11NS2/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12)
- InChI Key： VUDLDVLERKDARG-UHFFFAOYSA-N
- SMILES： S1C(NC2C=CC(=CC1=2)CCC)=S
Computed Properties
- Exact Mass: 209.03343
- Monoisotopic Mass: 209.03329170g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 205
- 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: 3.7
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- PSA: 12.03
2(3H)-Benzothiazolethione,6-propyl- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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