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Chemical ID: 6687320
Chemical ID:
6687320
Name [?]:
[2-(ethylsulfanylmethyl)phenyl] methylaminoformate
SMILES [?]:
CCSCc1ccccc1OC(=O)NC
InChi [?]:
InChI=1/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,15,2,7,8,6,9,4,5,10,12,14,13,11,3/rA:15nCCSCCCCCCCOCONC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87889 |
Area: | 418.065 |
Solvation: | -1.57274 |
Coulombic: | -36.1574 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 225.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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