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Chemical ID: 5217969
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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