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Chemical ID: 6481079
Chemical ID:
6481079
Name [?]:
4-(4-methylpyrimidin-2-yl)sulfanylaniline
SMILES [?]:
Cc1ccnc(n1)Sc2ccc(cc2)N
InChi [?]:
InChI=1/C11H11N3S/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,13,10,14,3,4,2,12,9,6,15,5,7,8/E:(2,3)(4,5)/rA:15nCCCCNCNSCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09231 |
Area: | 393.894 |
Solvation: | -1.75506 |
Coulombic: | -28.4876 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 217.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.51 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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