Chemical ID: 6687320

CCSCc1ccccc1OC(=O)NC
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

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