Chemical ID: 4733329

CCSc1nc(nc(n1)N)C(C)C
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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