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Chemical ID: 4777774
Chemical ID:
4777774
Name [?]:
o-tolylmethyleneaminothiourea
SMILES [?]:
Cc1ccccc1C=NNC(=S)N
InChi [?]:
InChI=1/C9H11N3S/c1-7-4-2-3-5-8(7)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,8,2,7,11,13,9,10,12/rA:13nCCCCCCCCNNCSN/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N3S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.89885 |
Area: | 369.63 |
Solvation: | -1.34191 |
Coulombic: | -28.4521 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.27 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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