Cas no 607723-60-4 (Pyrimidine, 4-chloro-6-(phenylthio)-)
607723-60-4 structure
Product Name:Pyrimidine, 4-chloro-6-(phenylthio)-
CAS No:607723-60-4
MF:C10H7ClN2S
MW:222.693979501724
CID:4062845
PubChem ID:60726781
Update Time:2025-04-22
Pyrimidine, 4-chloro-6-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-6-(phenylthio)-
- DB-381027
- 4-chloro-6-(phenylthio)pyrimidine
- AKOS009154311
- 607723-60-4
-
- Inchi： 1S/C10H7ClN2S/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H
- InChI Key： LLZHBVMAKBCEPB-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC=N1)SC1C=CC=CC=1
Computed Properties
- Exact Mass: 222.0018471Da
- Monoisotopic Mass: 222.0018471Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 3.6
- Topological Polar Surface Area: 51.1?2
Pyrimidine, 4-chloro-6-(phenylthio)- Related Literature
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
607723-60-4 (Pyrimidine, 4-chloro-6-(phenylthio)-) Related Products
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