Chemical ID: 4760354

c1ccc(c(c1)CSc2ccccc2N)Cl
Chemical ID:
4760354
Name [?]:
2-[(2-chlorophenyl)methylsulfanyl]aniline
SMILES [?]:
c1ccc(c(c1)CSc2ccccc2N)Cl
InChi [?]:
InChI=1/C13H12ClNS/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9,15H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,3,13,10,7,5,4,14,9,16,15,8/rA:16nCCCCCCCSCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12ClNS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.30877
Area:426.091
Solvation:-1.3435
Coulombic:-20.5896
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.76
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.01
LogP (Chemaxon):4.11

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