Chemical ID: 4116386

CSc1ccccc1
Chemical ID:
4116386
Name [?]:
methylsulfanylbenzene
SMILES [?]:
CSc1ccccc1
InChi [?]:
InChI=1/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,3,2/E:(3,4)(5,6)/rA:8nCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8S
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:6.16932
Area:275.16
Solvation:-0.709687
Coulombic:-2.75754
Bond Count [?]
All:8
Single:5
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:124.204
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.76
LogP (Chemaxon):2.7

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