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Chemical ID: 3964630
Chemical ID:
3964630
Name [?]:
1-phenyl-3-thiazol-2-yl-thiourea
SMILES [?]:
c1ccc(cc1)NC(=S)Nc2nccs2
InChi [?]:
InChI=1/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,4,8,11,12,7,10,9,15/E:(2,3)(4,5)/rA:15nCCCCCCNCSNCNCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3S2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26413 |
Area: | 396.692 |
Solvation: | -1.65317 |
Coulombic: | -30.3347 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.331 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.83 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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