Cas no 90008-75-6 ( )
structure
Product Name:
CAS No:90008-75-6
MF:C7H11N3O2S
MW:201.246139764786
CID:994488
PubChem ID:4687960
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 6-amino-5-(2-hydroxypropyl)-2-sulfanylidene-1H-pyrimidin-4-one
- DTXSID90405585
- NSC-528414
- NSC528414
- 90008-75-6
- DS-005851
-
-
- Inchi： 1S/C7H11N3O2S/c1-3(11)2-4-5(8)9-7(13)10-6(4)12/h3,11H,2H2,1H3,(H4,8,9,10,12,13)
- InChI Key： KLVBHYOOJMHXRX-UHFFFAOYSA-N
- SMILES： S=C1NC(C(=C(N)N1)CC(C)O)=O
Computed Properties
- Exact Mass: 201.057
- Monoisotopic Mass: 201.057
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 120A^2
- XLogP3: -0.8
Experimental Properties
- Density: 1.44
- Refractive Index: 1.664
- PSA: 126.99000
- LogP: 0.51920
Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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