Chemical ID: 7116289

CSc1ncc(cn1)Br
Chemical ID:
7116289
Name [?]:
5-bromo-2-methylsulfanyl-pyrimidine
SMILES [?]:
CSc1ncc(cn1)Br
InChi [?]:
InChI=1/C5H5BrN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,6,3,9,4,8,2/E:(2,3)(7,8)/rA:9nCSCNCCCNBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5BrN2S
All Atoms:14
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.49591
Area:302.782
Solvation:-1.07365
Coulombic:-11.631
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:205.077
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.36
LogP (Chemaxon):2.04

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Experimental Annotations

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Descriptor Annotations

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