5-ethyl-5-(2-phenoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione 5449-94-5 CAS NO.5449-94-5

Min.Order: 1 Kilogram
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Product Details

Keywords

5-ethyl-5-(2-phenoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5449-94-5
98%

Quick Details

ProName: 5-ethyl-5-(2-phenoxyethyl)-2-sulfanyli...
CasNo: 5449-94-5
Molecular Formula: C14H16N2O3S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

Name】
5-ethyl-5-(2-phenoxyethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
【Iupac name】
5-ethyl-5-(2-phenoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
【CAS Registry number】
5449-94-5
【Synonyms】
NSC16456
AC1N7H9R
NSC-16456
5-ethyl-5-(2-phenoxyethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5449-94-5
【Molecular Formula】
C14H16N2O3S (Products with the same molecular formula)
【Molecular Weight】
292.3534
【Inchi】
InChI=1/C14H16N2O3S/c1-2-14(11(17)15-13(20)16-12(14)18)8-9-19-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,15,16,17,18,20)
【Canonical SMILES】
CCC1(C(=O)NC(=S)NC1=O)CCOC2=CC=CC=C2
【MOL File】
5449-94-5.mol
Chemical and Physical Properties
【Density】
1.3g/cm3
【Refractive Index】
1.615
【Computed Properties】
Molecular Weight:292.35344 [g/mol]
Molecular Formula:C14H16N2O3S
XLogP3:2.6
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:5
Exact Mass:292.088163
MonoIsotopic Mass:292.088163
Topological Polar Surface Area:99.5
Heavy Atom Count:20
Formal Charge:0
Complexity:385
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5.6
Conformer Sampling RMSD:0.8
CID Conformer Count:38

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