Chemical ID: 4777774

Cc1ccccc1C=NNC(=S)N
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

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Descriptor Annotations

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