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Chemical ID: 5196802
Chemical ID:
5196802
Name [?]:
2-(1-ethylpropyl)thiazolidine 1,1-dioxide
SMILES [?]:
CCC(CC)N1CCCS1(=O)=O
InChi [?]:
InChI=1/C8H17NO2S/c1-3-8(4-2)9-6-5-7-12(9,10)11/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,7,9,3,6,11,12,10/E:(1,2)(3,4)(10,11)/CRV:12.6/rA:12cCCCCCNCCCSOO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s6s9;d10;d10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17NO2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.03113 |
Area: | 336.679 |
Solvation: | -2.38585 |
Coulombic: | -4.88674 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.34 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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