Chemical ID: 5265855

c1c[nH+]c([nH+]c1)[S-]
Chemical ID:
5265855
Name [?]:
1,3-dihydropyrimidine-2-thiolate
SMILES [?]:
c1c[nH+]c([nH+]c1)[S-]
InChi [?]:
InChI=1/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,5,7/E:(2,3)(5,6)/rA:7nCCN+CN+CS-/rB:s1;d2;s3;d4;d1s5;s4;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C4H5N2S+
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:-41.2012
Area:249.992
Solvation:-47.451
Coulombic:-18.3969
Bond Count [?]
All:7
Single:4
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:113.162
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.2
LogP (Chemaxon):0.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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