Chemical ID: 5217969

CCCNC(=S)Nc1ncco1
Chemical ID:
5217969
Name [?]:
3-oxazol-2-yl-1-propyl-thiourea
SMILES [?]:
CCCNC(=S)Nc1ncco1
InChi [?]:
InChI=1/C7H11N3OS/c1-2-3-9-7(12)10-6-8-4-5-11-6/h4-5H,2-3H2,1H3,(H2,8,9,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,11,8,5,9,4,7,12,6/rA:12nCCCNCSNCNCCO/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11N3OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.96867
Area:358.156
Solvation:-1.98522
Coulombic:-38.0115
Bond Count [?]
All:12
Single:9
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:185.248
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.79
LogP (Chemaxon):1.69

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Descriptor Annotations

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