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Chemical ID: 5689491
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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