Chemical ID: 3964630

c1ccc(cc1)NC(=S)Nc2nccs2
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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