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89665-74-7 | 5-(MORPHOLINOMETHYL)-2-THIOURACIL
CAS No: 89665-74-7 Catalog No: AG0043WG MDL No:MFCD01689081
Product Description
Catalog Number:
AG0043WG
Chemical Name:
5-(MORPHOLINOMETHYL)-2-THIOURACIL
CAS Number:
89665-74-7
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
MDL Number:
MFCD01689081
IUPAC Name:
5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C9H13N3O2S/c13-8-7(5-10-9(15)11-8)6-12-1-3-14-4-2-12/h5H,1-4,6H2,(H2,10,11,13,15)
InChI Key:
BGEPLLSIVTXHKF-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)[nH]cc1CN1CCOCC1
NSC Number:
708941
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.282g/mol
Monoisotopic Mass:
227.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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