Cas no 37489-39-7 (5-Pyrimidinamine, 4-chloro-6-(methylthio)-)
37489-39-7 structure
Product Name:5-Pyrimidinamine, 4-chloro-6-(methylthio)-
CAS No:37489-39-7
MF:C5H6ClN3S
MW:175.639237880707
CID:1484097
PubChem ID:12350057
Update Time:2025-04-21
5-Pyrimidinamine, 4-chloro-6-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinamine, 4-chloro-6-(methylthio)-
- 4-Chloro-6-(methylthio)-5-pyrimidinamine
- DB-396824
- SCHEMBL22057618
- 4-methylthio-5-amino-6-chloropyrimidine
- AKOS012322114
- 37489-39-7
-
- Inchi： 1S/C5H6ClN3S/c1-10-5-3(7)4(6)8-2-9-5/h2H,7H2,1H3
- InChI Key： SDJUBWSZXNTEPL-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC=N1)SC)N
Computed Properties
- Exact Mass: 174.99728
- Monoisotopic Mass: 174.9970961g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 113
- 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: 1.3
- Topological Polar Surface Area: 77.1?2
Experimental Properties
- PSA: 51.8
5-Pyrimidinamine, 4-chloro-6-(methylthio)- Related Literature
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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