Chemical ID: 5689491

c1ccc(cc1)c2csc(=NC(=S)N)[nH]2
Chemical ID:
5689491
Name [?]:
(4-phenyl-3H-thiazol-2-ylidene)thiourea
SMILES [?]:
c1ccc(cc1)c2csc(=NC(=S)N)[nH]2
InChi [?]:
InChI=1/C10H9N3S2/c11-9(14)13-10-12-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,7,12,10,14,15,11,13,9/E:(2,3)(4,5)/rA:15nCCCCCCCCSCNCSNN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;w10;s11;d12;s12;s7s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3S2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.67113
Area:399.137
Solvation:-1.30728
Coulombic:-36.9197
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:235.331
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.12
LogP (Chemaxon):2.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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