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Chemical ID: 6048644
Chemical ID:
6048644
Name [?]:
tert-butyl 3-thiocarbamoylpyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)C(=S)N
InChi [?]:
InChI=1/C10H18N2O2S/c1-10(2,3)14-9(13)12-5-4-7(6-12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,12,11,13,6,2,15,8,7,5,14/E:(1,2,3)/rA:15cCCCCOCONCCCCCSN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.66469 |
Area: | 411.68 |
Solvation: | -1.62732 |
Coulombic: | -46.1342 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.328 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.72 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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