Chemical ID: 4522803

c1cc(sc1C=NNC(=S)N)[N+](=O)[O-]
Chemical ID:
4522803
Name [?]:
(5-nitro-2-thienyl)methyleneaminothiourea
SMILES [?]:
c1cc(sc1C=NNC(=S)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H6N4O2S2/c7-6(13)9-8-3-4-1-2-5(14-4)10(11)12/h1-3H,(H3,7,9,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,3,9,11,7,8,12,13,14,10,4/E:(11,12)/CRV:10.5/rA:14nCCCSCCNNCSNN+OO-/rB:s1;d2;s3;d1s4;s5;w6;s7;s8;d9;s9;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O2S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.7056
Area:395.951
Solvation:-8.19318
Coulombic:-37.2233
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:230.27
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.12
LogP (Chemaxon):1.27

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