Cas no 171874-47-8 (2(3H)-Benzothiazolethione,4-(hydroxymethyl)-)
171874-47-8 structure
Product Name:2(3H)-Benzothiazolethione,4-(hydroxymethyl)-
CAS No:171874-47-8
MF:C8H7NOS2
MW:197.277279138565
CID:111421
PubChem ID:19417469
Update Time:2025-04-18
2(3H)-Benzothiazolethione,4-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzothiazolethione,4-(hydroxymethyl)-
- 2(3H)-Benzothiazolethione,4-(hydroxymethyl)-(9CI)
- SCHEMBL7059302
- SCHEMBL8975933
- 4-(hydroxymethyl)-3H-1,3-benzothiazole-2-thione
- 171874-47-8
-
- Inchi： 1S/C8H7NOS2/c10-4-5-2-1-3-6-7(5)9-8(11)12-6/h1-3,10H,4H2,(H,9,11)
- InChI Key： WPLOQDMZUMDHQK-UHFFFAOYSA-N
- SMILES： S1C(NC2=C1C=CC=C2CO)=S
Computed Properties
- Exact Mass: 196.99701
- 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: 1.4
- Topological Polar Surface Area: 89.6?2
Experimental Properties
- PSA: 32.26
2(3H)-Benzothiazolethione,4-(hydroxymethyl)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
171874-47-8 (2(3H)-Benzothiazolethione,4-(hydroxymethyl)-) Related Products
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