Chemical ID: 6659203

CC(=O)Nc1ccc(cc1)SC
Chemical ID:
6659203
Name [?]:
N-(4-methylsulfanylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)SC
InChi [?]:
InChI=1/C9H11NOS/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,6,10,7,9,2,5,8,4,3,11/E:(3,4)(5,6)/rA:12nCCONCCCCCCSC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.72499
Area:352.38
Solvation:-2.08452
Coulombic:-20.2557
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.256
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.02
LogP (Chemaxon):2.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue