3-[bis(2-hydroxyeth...

3-[bis(2-hydroxyethyl)amino]-5,7-diethyl[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione(CAS No. 56540-88-6)

3-[bis(2-hydroxyethyl)amino]-5,7-diethyl[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione(CAS No. 56540-88-6)

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Keywords

7-(bis(2-hydroxyethyl)amino)-2,4-diethyl-8-thia-2,4,9-triazabicyclo[4.3.0]nona-6,9-diene-3,5-dione 3-[bis(2-hydroxyethyl)amino]-5,7-diethyl[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione(CAS No. 56540-88-6) 56540-88-6

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
3-[bis(2-hydroxyethyl)amino]-5,7-diethyl[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
【Iupac name】
3-[bis(2-hydroxyethyl)amino]-5,7-diethyl-[1,2]thiazolo[3,
4-d]pyrimidine-4,6-dione
【CAS Registry number】
56540-88-6
【Synonyms】
NSC286614
AC1L89DN
NSC-286614
3-[bis(2-hydroxyethyl)amino]-5,7-diethyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
56540-88-6
【Molecular Formula】
C13H20N4O4S (Products with the same molecular formula)
【Molecular Weight】
328.3873
【Inchi】
InChI=1/C13H20N4O4S/c1-3-16-10-9(11(20)17(4-2)13(16)21)12(22-14-10)15(5-7-18)6-8-19/h18-19H,3-8H2,1-2H3
【Canonical SMILES】
CCN1C2=NSC(=C2C(=O)N(C1=O)CC)N(CCO)CCO
【MOL File】
56540-88-6.mol
Chemical and Physical Properties
【Density】
1.395g/cm3
【Boiling Point】
484.2°C at 760 mmHg
【Refractive Index】
1.623
【Flash Point】
246.6°C
【Computed Properties】
Molecular Weight:328.3873 [g/mol]
Molecular Formula:C13H20N4O4S
XLogP3-AA:0
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:7
Exact Mass:328.120526
MonoIsotopic Mass:328.120526
Topological Polar Surface Area:125
Heavy Atom Count:22
Formal Charge:0
Complexity:419
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 Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:28

 

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