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Chemical ID: 4733329
Chemical ID:
4733329
Name [?]:
4-ethylsulfanyl-6-isopropyl-1,3,5-triazin-2-amine
SMILES [?]:
CCSc1nc(nc(n1)N)C(C)C
InChi [?]:
InChI=1/C8H14N4S/c1-4-13-8-11-6(5(2)3)10-7(9)12-8/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,13,2,11,6,8,4,10,7,5,9,3/E:(2,3)/rA:13nCCSCNCNCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s6;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N4S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7152 |
Area: | 382.996 |
Solvation: | -0.859698 |
Coulombic: | -36.1023 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.29 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.86 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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