Cas no 873106-26-4 (5-Pyrimidinamine, 4-chloro-6-(phenylthio)-)
873106-26-4 structure
Product Name:5-Pyrimidinamine, 4-chloro-6-(phenylthio)-
CAS No:873106-26-4
MF:C10H8ClN3S
MW:237.708619117737
CID:1875432
PubChem ID:11637278
Update Time:2025-04-21
5-Pyrimidinamine, 4-chloro-6-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinamine, 4-chloro-6-(phenylthio)-
- AKOS002917734
- 873106-26-4
- DB-117938
-
- Inchi： 1S/C10H8ClN3S/c11-9-8(12)10(14-6-13-9)15-7-4-2-1-3-5-7/h1-6H,12H2
- InChI Key： OMWOAEVJWJWDAE-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC=N1)SC1C=CC=CC=1)N
Computed Properties
- Exact Mass: 237.0127461Da
- Monoisotopic Mass: 237.0127461Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 199
- 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: 2.9
- Topological Polar Surface Area: 77.1?2
5-Pyrimidinamine, 4-chloro-6-(phenylthio)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
873106-26-4 (5-Pyrimidinamine, 4-chloro-6-(phenylthio)-) Related Products
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