Cas no 171874-48-9 (2(3H)-Benzothiazolethione,5-(hydroxymethyl)-)
171874-48-9 structure
Product Name:2(3H)-Benzothiazolethione,5-(hydroxymethyl)-
CAS No:171874-48-9
MF:C8H7NOS2
MW:197.277279138565
CID:111422
PubChem ID:15814046
Update Time:2025-04-18
2(3H)-Benzothiazolethione,5-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzothiazolethione,5-(hydroxymethyl)-
- 2(3H)-Benzothiazolethione,5-(hydroxymethyl)-(9CI)
- 5-(hydroxymethyl)-3H-1,3-benzothiazole-2-thione
- SCHEMBL8781324
- 171874-48-9
-
- Inchi： 1S/C8H7NOS2/c10-4-5-1-2-7-6(3-5)9-8(11)12-7/h1-3,10H,4H2,(H,9,11)
- InChI Key： RWGLCYIXROSIMI-UHFFFAOYSA-N
- SMILES： S1C(NC2C=C(CO)C=CC1=2)=S
Computed Properties
- Exact Mass: 196.99690619g/mol
- Monoisotopic Mass: 196.99690619g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- 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: 1.5
- Topological Polar Surface Area: 89.6?2
2(3H)-Benzothiazolethione,5-(hydroxymethyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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