Chemical ID: 6481079

Cc1ccnc(n1)Sc2ccc(cc2)N
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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Descriptor Annotations

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