Chemical ID: 4145844

CCCc1cc(=O)[nH]c(n1)SCC
Chemical ID:
4145844
Name [?]:
2-ethylsulfanyl-6-propyl-3H-pyrimidin-4-one
SMILES [?]:
CCCc1cc(=O)[nH]c(n1)SCC
InChi [?]:
InChI=1/C9H14N2OS/c1-3-5-7-6-8(12)11-9(10-7)13-4-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,3,5,4,6,9,10,8,7,11/rA:13nCCCCCCONCNSCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4d9;s9;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14N2OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.11463
Area:385.264
Solvation:-1.51697
Coulombic:-27.0212
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.286
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.51
LogP (Chemaxon):2.24

Name Annotations

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Descriptor Annotations

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