Cas no 61810-07-9 (1,3,5-Triazine, 2-chloro-4-(methylthio)-)
61810-07-9 structure
Product Name:1,3,5-Triazine, 2-chloro-4-(methylthio)-
CAS No:61810-07-9
MF:C4H4ClN3S
MW:161.612657546997
CID:465473
PubChem ID:22375311
Update Time:2025-04-19
1,3,5-Triazine, 2-chloro-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine, 2-chloro-4-(methylthio)-
- 2-chloro-4-methylsulfanyl-1,3,5-triazine
- 2-Chloro-4-(methylthio)-1,3,5-triazine
- DTXSID60625253
- 61810-07-9
- 2-Chloro-4-(methylsulfanyl)-1,3,5-triazine
- SCHEMBL7769976
-
- Inchi： 1S/C4H4ClN3S/c1-9-4-7-2-6-3(5)8-4/h2H,1H3
- InChI Key： GRTKXSLSIJYUDJ-UHFFFAOYSA-N
- SMILES： ClC1=NC=NC(=N1)SC
Computed Properties
- Exact Mass: 160.98162
- Monoisotopic Mass: 160.9814460g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 91.9
- 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: 1.8
- Topological Polar Surface Area: 64?2
Experimental Properties
- PSA: 38.67
1,3,5-Triazine, 2-chloro-4-(methylthio)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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