Chemical ID: 5138756

c1csc(c1C=C2CCOC2=O)N
Chemical ID:
5138756
Name [?]:
3-[(2-amino-3-thienyl)methylene]tetrahydrofuran-2-one
SMILES [?]:
c1csc(c1C=C2CCOC2=O)N
InChi [?]:
InChI=1/C9H9NO2S/c10-8-6(2-4-13-8)5-7-1-3-12-9(7)11/h2,4-5H,1,3,10H2
InChi Info:
AuxInfo=1/0/N:8,1,9,2,6,5,7,4,11,13,12,10,3/rA:13nCCSCCCCCCOCON/rB:d1;s2;s3;s1d4;s5;w6;s7;s8;s9;s7s10;d11;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.9164
Area:352.308
Solvation:-2.8913
Coulombic:-35.2698
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:195.239
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.52
LogP (Chemaxon):0.79

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Descriptor Annotations

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